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

C8H7BrN2O2S — CID 66834104

IUPACN-(2-bromo-5-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C#N)ccc1Br
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,1H3
InChIKeyDAOUXLWTJKRSSU-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.69
Rot. Bonds2

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

N-(2-bromo-5-cyanophenyl)methanesulfonamide (PubChem CID 66834104) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(2-bromo-5-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-cyanophenyl)methanesulfonamide
PubChem CID66834104
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC NameN-(2-bromo-5-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C#N)ccc1Br
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,1H3
InChIKeyDAOUXLWTJKRSSU-UHFFFAOYSA-N
XLogP1.69
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-cyanophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842924
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274012
N-[2-bromo-5-[(1S)-2-[2-[(7-cyano-9H-carbazol-2-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 70034319
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-5-propanoylphenyl)methanesulfonamide
CID 174428060
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-5-cyanophenyl)methanesulfonamide (CID 66834104) is N-(2-bromo-5-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-5-cyanophenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(C#N)ccc1Br.
What is the InChIKey of N-(2-bromo-5-cyanophenyl)methanesulfonamide?
The InChIKey is DAOUXLWTJKRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,1H3.
What are the key properties of N-(2-bromo-5-cyanophenyl)methanesulfonamide?
N-(2-bromo-5-cyanophenyl)methanesulfonamide has a molecular weight of 275.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 66834104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).