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

C15H16BrNO2S — CID 42998950

IUPAC4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-11-10-14(8-9-15(11)16)20(18,19)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3
InChIKeyDQSYSRIYWRIILI-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.80
Rot. Bonds4

About 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide

4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 42998950) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID42998950
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-11-10-14(8-9-15(11)16)20(18,19)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3
InChIKeyDQSYSRIYWRIILI-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
4-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7322854
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 42998950) is 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is DQSYSRIYWRIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-11-10-14(8-9-15(11)16)20(18,19)17-12(2)13-6-4-3-5-7-13/h3-10,12,17H,1-2H3.
What are the key properties of 4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide?
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.80, 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-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 42998950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).