2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide

C14H22BrNO2S — CID 60732124

IUPAC2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCC(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2S/c1-10(2)5-7-12(4)16-19(17,18)14-8-6-11(3)9-13(14)15/h6,8-10,12,16H,5,7H2,1-4H3
InChIKeySUQYJZPVLXGUBI-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.86
Rot. Bonds6

About 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide

2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide (PubChem CID 60732124) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
PubChem CID60732124
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCC(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2S/c1-10(2)5-7-12(4)16-19(17,18)14-8-6-11(3)9-13(14)15/h6,8-10,12,16H,5,7H2,1-4H3
InChIKeySUQYJZPVLXGUBI-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide 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-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43132336
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide (CID 60732124) is 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CCC(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is SUQYJZPVLXGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-10(2)5-7-12(4)16-19(17,18)14-8-6-11(3)9-13(14)15/h6,8-10,12,16H,5,7H2,1-4H3.
What are the key properties of 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60732124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).