N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide

C12H7BrClN3O2S — CID 61052379

IUPACN-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccnc2Cl)c(Br)c1
InChIInChI=1S/C12H7BrClN3O2S/c13-9-6-8(7-15)3-4-10(9)17-20(18,19)11-2-1-5-16-12(11)14/h1-6,17H
InChIKeyXRYWWDUEMJPFRI-UHFFFAOYSA-N
MW372.63 g/mol
LogP3.17
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide

N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide (PubChem CID 61052379) has the molecular formula C12H7BrClN3O2S and a molecular weight of 372.63 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
PubChem CID61052379
Molecular FormulaC12H7BrClN3O2S
Molecular Weight372.63 g/mol
Exact Mass370.91
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccnc2Cl)c(Br)c1
InChIInChI=1S/C12H7BrClN3O2S/c13-9-6-8(7-15)3-4-10(9)17-20(18,19)11-2-1-5-16-12(11)14/h1-6,17H
InChIKeyXRYWWDUEMJPFRI-UHFFFAOYSA-N
XLogP3.17
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
2-amino-N-(2-bromo-4-chlorophenyl)pyridine-3-sulfonamide
CID 81262495
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274012
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 81280535
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide (CID 61052379) is N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cccnc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide?
The InChIKey is XRYWWDUEMJPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O2S/c13-9-6-8(7-15)3-4-10(9)17-20(18,19)11-2-1-5-16-12(11)14/h1-6,17H.
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide?
N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide has a molecular weight of 372.63 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 61052379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).