5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide

C14H11BrN2O2S — CID 8513690

IUPAC5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H11BrN2O2S/c1-10-6-7-12(15)8-14(10)20(18,19)17-13-5-3-2-4-11(13)9-16/h2-8,17H,1H3
InChIKeyDNVNUZZYORAXEI-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide (PubChem CID 8513690) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
PubChem CID8513690
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H11BrN2O2S/c1-10-6-7-12(15)8-14(10)20(18,19)17-13-5-3-2-4-11(13)9-16/h2-8,17H,1H3
InChIKeyDNVNUZZYORAXEI-UHFFFAOYSA-N
XLogP3.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
N-(2-cyanophenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695181
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide (CID 8513690) is 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide?
The InChIKey is DNVNUZZYORAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-6-7-12(15)8-14(10)20(18,19)17-13-5-3-2-4-11(13)9-16/h2-8,17H,1H3.
What are the key properties of 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide has a molecular weight of 351.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 8513690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).