2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C14H14BrNO2S2 — CID 35507846

IUPAC2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3
InChIKeyZZQWDNXPHLKCBH-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.28
Rot. Bonds4

About 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 35507846) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID35507846
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3
InChIKeyZZQWDNXPHLKCBH-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 35507846) is 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is ZZQWDNXPHLKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3.
What are the key properties of 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 372.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 35507846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).