N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide

C13H7BrN4O2S — CID 103278188

IUPACN-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(Br)c1
InChIInChI=1S/C13H7BrN4O2S/c14-12-5-9(6-15)1-4-13(12)18-21(19,20)11-3-2-10(7-16)17-8-11/h1-5,8,18H
InChIKeySYUAVGQPVMSYRN-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.39
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide

N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 103278188) has the molecular formula C13H7BrN4O2S and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
PubChem CID103278188
Molecular FormulaC13H7BrN4O2S
Molecular Weight363.20 g/mol
Exact Mass361.95
IUPAC NameN-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(Br)c1
InChIInChI=1S/C13H7BrN4O2S/c14-12-5-9(6-15)1-4-13(12)18-21(19,20)11-3-2-10(7-16)17-8-11/h1-5,8,18H
InChIKeySYUAVGQPVMSYRN-UHFFFAOYSA-N
XLogP2.39
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide (CID 103278188) is N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is SYUAVGQPVMSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4O2S/c14-12-5-9(6-15)1-4-13(12)18-21(19,20)11-3-2-10(7-16)17-8-11/h1-5,8,18H.
What are the key properties of N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide?
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 363.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 103278188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).