N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide

C15H16BrNO2S — CID 169372007

IUPACN-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h4-10,17H,3H2,1-2H3
InChIKeyHNLCXGHKKAJUDL-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.12
Rot. Bonds4

About N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide

N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169372007) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
PubChem CID169372007
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h4-10,17H,3H2,1-2H3
InChIKeyHNLCXGHKKAJUDL-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 169370073
N-[5-bromo-2-[[(2S)-1-hydroxypropan-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
CID 118079189
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide (CID 169372007) is N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide is CCc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HNLCXGHKKAJUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide?
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).