3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide

C15H16BrNO2S — CID 56541492

IUPAC3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccccc1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-12(2)17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)11-15/h3-12H,1-2H3
InChIKeyNPFUDIJHQNGXSP-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide

3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 56541492) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
PubChem CID56541492
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccccc1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-12(2)17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)11-15/h3-12H,1-2H3
InChIKeyNPFUDIJHQNGXSP-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide 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

4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 43276074
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
CID 61297692
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
propan-2-yl 2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 50890983
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide (CID 56541492) is 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(c1ccccc1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NPFUDIJHQNGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-12(2)17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)11-15/h3-12H,1-2H3.
What are the key properties of 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide?
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56541492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).