4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide

C14H13BrFNO2S — CID 7939142

IUPAC4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3
InChIKeyPKVCPWOMQHYPAC-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide

4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 7939142) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID7939142
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3
InChIKeyPKVCPWOMQHYPAC-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide (CID 7939142) is 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1F.
What is the InChIKey of 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is PKVCPWOMQHYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 7939142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).