4-bromo-3-methyl-N-propylbenzenesulfonamide

C10H14BrNO2S — CID 2439945

IUPAC4-bromo-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyXZAFXOBWKNHXFH-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.45
Rot. Bonds4

About 4-bromo-3-methyl-N-propylbenzenesulfonamide

4-bromo-3-methyl-N-propylbenzenesulfonamide (PubChem CID 2439945) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-propylbenzenesulfonamide
PubChem CID2439945
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name4-bromo-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyXZAFXOBWKNHXFH-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606030
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
4-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540369
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
4-bromo-N-(2,2-dimethoxyethyl)-3-methylbenzenesulfonamide
CID 60707811
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-propylbenzenesulfonamide (CID 2439945) is 4-bromo-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is XZAFXOBWKNHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 4-bromo-3-methyl-N-propylbenzenesulfonamide?
4-bromo-3-methyl-N-propylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.45, 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-propylbenzenesulfonamide is sourced from PubChem (CID 2439945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).