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

C15H16BrNO2S — CID 62001773

IUPAC4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-4-8-14(9-5-12)17(2)20(18,19)15-10-6-13(16)7-11-15/h4-11H,3H2,1-2H3
InChIKeySLEZELOOLOXAAB-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.84
Rot. Bonds4

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

4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide (PubChem CID 62001773) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
PubChem CID62001773
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-4-8-14(9-5-12)17(2)20(18,19)15-10-6-13(16)7-11-15/h4-11H,3H2,1-2H3
InChIKeySLEZELOOLOXAAB-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
1-bromo-4-ethylbenzene
CID 15313
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
CID 19210712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide (CID 62001773) is 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide is CCc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is SLEZELOOLOXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-3-12-4-8-14(9-5-12)17(2)20(18,19)15-10-6-13(16)7-11-15/h4-11H,3H2,1-2H3.
What are the key properties of 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62001773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).