2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C15H24BrNO2S — CID 102907709

IUPAC2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-10(2)13(11(3)4)9-17-20(18,19)15-7-6-12(5)8-14(15)16/h6-8,10-11,13,17H,9H2,1-5H3
InChIKeyQWELFCHMOPRHGH-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.96
Rot. Bonds6

About 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102907709) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102907709
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-10(2)13(11(3)4)9-17-20(18,19)15-7-6-12(5)8-14(15)16/h6-8,10-11,13,17H,9H2,1-5H3
InChIKeyQWELFCHMOPRHGH-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
2-bromo-N-(3-ethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 65042425
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102907709) is 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is QWELFCHMOPRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-10(2)13(11(3)4)9-17-20(18,19)15-7-6-12(5)8-14(15)16/h6-8,10-11,13,17H,9H2,1-5H3.
What are the key properties of 2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 3.96, 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-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102907709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).