6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H9ClN4O2S — CID 135191770

IUPAC6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)cc1
InChIInChI=1S/C14H9ClN4O2S/c15-13-6-5-11-12(8-17-14(11)18-13)22(20,21)19-10-3-1-9(7-16)2-4-10/h1-6,8,19H,(H,17,18)
InChIKeyJKBWSNOZPYOUNP-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.89
Rot. Bonds3

About 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 135191770) has the molecular formula C14H9ClN4O2S and a molecular weight of 332.77 g/mol. Its IUPAC name is 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID135191770
Molecular FormulaC14H9ClN4O2S
Molecular Weight332.77 g/mol
Exact Mass332.01
IUPAC Name6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)cc1
InChIInChI=1S/C14H9ClN4O2S/c15-13-6-5-11-12(8-17-14(11)18-13)22(20,21)19-10-3-1-9(7-16)2-4-10/h1-6,8,19H,(H,17,18)
InChIKeyJKBWSNOZPYOUNP-UHFFFAOYSA-N
XLogP2.89
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-6-fluoro-1H-indole-3-sulfonamide
CID 135187095
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
6-chloro-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225680
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629212
6-chloro-N-[4,6-dimethoxy-5-(1,1,2-trifluoroethoxy)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225635
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
6-chloro-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 175359279
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 135191770) is 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JKBWSNOZPYOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2S/c15-13-6-5-11-12(8-17-14(11)18-13)22(20,21)19-10-3-1-9(7-16)2-4-10/h1-6,8,19H,(H,17,18).
What are the key properties of 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 332.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 135191770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).