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

C13H8Cl2FN3O2S — CID 135201156

IUPAC6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C13H8Cl2FN3O2S/c14-7-1-3-10(9(16)5-7)19-22(20,21)11-6-17-13-8(11)2-4-12(15)18-13/h1-6,19H,(H,17,18)
InChIKeyNDGOYFOMMPWGNH-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.81
Rot. Bonds3

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

6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 135201156) has the molecular formula C13H8Cl2FN3O2S and a molecular weight of 360.20 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID135201156
Molecular FormulaC13H8Cl2FN3O2S
Molecular Weight360.20 g/mol
Exact Mass358.97
IUPAC Name6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C13H8Cl2FN3O2S/c14-7-1-3-10(9(16)5-7)19-22(20,21)11-6-17-13-8(11)2-4-12(15)18-13/h1-6,19H,(H,17,18)
InChIKeyNDGOYFOMMPWGNH-UHFFFAOYSA-N
XLogP3.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 146278088
6-chloro-N-(2,4,6-trifluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 175359279
6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135191770
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
6-chloro-N-[4,6-dimethoxy-5-(1,1,2-trifluoroethoxy)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225635
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 135201156) is 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is NDGOYFOMMPWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3O2S/c14-7-1-3-10(9(16)5-7)19-22(20,21)11-6-17-13-8(11)2-4-12(15)18-13/h1-6,19H,(H,17,18).
What are the key properties of 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 135201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).