N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide

C13H10BrN3O2S — CID 106703731

IUPACN-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H10BrN3O2S/c1-9-10(14)4-2-5-11(9)17-20(18,19)13-6-3-7-16-12(13)8-15/h2-7,17H,1H3
InChIKeyUYQSTPGOCHZFMG-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.83
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide

N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106703731) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106703731
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC NameN-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H10BrN3O2S/c1-9-10(14)4-2-5-11(9)17-20(18,19)13-6-3-7-16-12(13)8-15/h2-7,17H,1H3
InChIKeyUYQSTPGOCHZFMG-UHFFFAOYSA-N
XLogP2.83
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 107630481
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide (CID 106703731) is N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide is Cc1c(Br)cccc1NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is UYQSTPGOCHZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-9-10(14)4-2-5-11(9)17-20(18,19)13-6-3-7-16-12(13)8-15/h2-7,17H,1H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide?
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 352.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106703731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).