4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C12H18BrNO2S — CID 7938230

IUPAC4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C12H18BrNO2S/c1-5-12(3,4)14-17(15,16)10-6-7-11(13)9(2)8-10/h6-8,14H,5H2,1-4H3
InChIKeyHGODADMQQIHZAU-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.22
Rot. Bonds4

About 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 7938230) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID7938230
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C12H18BrNO2S/c1-5-12(3,4)14-17(15,16)10-6-7-11(13)9(2)8-10/h6-8,14H,5H2,1-4H3
InChIKeyHGODADMQQIHZAU-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
3-[(4-bromo-3-methylphenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266499
N-(1-bromo-2-methylpropan-2-yl)-3,4-dimethylbenzenesulfonamide
CID 114298501
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 7938230) is 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is HGODADMQQIHZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-5-12(3,4)14-17(15,16)10-6-7-11(13)9(2)8-10/h6-8,14H,5H2,1-4H3.
What are the key properties of 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 7938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).