3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide

C15H16BrNO2S — CID 46557682

IUPAC3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-12(13-7-4-3-5-8-13)17(2)20(18,19)15-10-6-9-14(16)11-15/h3-12H,1-2H3
InChIKeyNOWMLNFNRUEJPN-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.83
Rot. Bonds4

About 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide

3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 46557682) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID46557682
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-12(13-7-4-3-5-8-13)17(2)20(18,19)15-10-6-9-14(16)11-15/h3-12H,1-2H3
InChIKeyNOWMLNFNRUEJPN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928514
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 46557682) is 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is NOWMLNFNRUEJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-12(13-7-4-3-5-8-13)17(2)20(18,19)15-10-6-9-14(16)11-15/h3-12H,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 46557682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).