2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide

C16H18BrNO2S — CID 60732273

IUPAC2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-12-9-10-16(15(17)11-12)21(19,20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyMTSJXLIMMJKAKD-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide

2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 60732273) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID60732273
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-12-9-10-16(15(17)11-12)21(19,20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyMTSJXLIMMJKAKD-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-bromo-4-[methyl-[(1S)-1-phenylethyl]sulfamoyl]benzoate
CID 39999220
2-bromo-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 55029369
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
CID 60765176
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide (CID 60732273) is 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is MTSJXLIMMJKAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-12-9-10-16(15(17)11-12)21(19,20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3.
What are the key properties of 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 60732273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).