1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

Benzenesulfonamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzenesulfonamides

Calculated Property

kind Value Source
logP 0.88 ALOGPS
logS -3.5 ALOGPS
Water Solubility 1.03e-01 g/l ALOGPS
logP 0.96 ChemAxon
IUPAC Name 1-(2-nitrobenzenesulfonyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxamide ChemAxon
Traditional IUPAC Name 1-(2-nitrobenzenesulfonyl)pyrrolo[3,2-b]pyridine-6-carboxamide ChemAxon
Molecular Weight 346.318 ChemAxon
Monoisotopic Weight 346.03719014 ChemAxon
SMILES NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O ChemAxon
Molecular Formula C14H10N4O5S ChemAxon
InChI InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19) ChemAxon
InChIKey InChIKey=USLOIFPDNUDIEG-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 140.87 ChemAxon
Refractivity 84.04 ChemAxon
Polarizability 30.86 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 13.78 ChemAxon
pKa (strongest basic) 2.88 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hepatocyte growth factor receptor : in Human