4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide

C15H16BrNO2S — CID 26944548

IUPAC4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3/t12-/m1/s1
InChIKeyUOOVXORHTINFJU-GFCCVEGCSA-N
MW354.27 g/mol
LogP3.80
Rot. Bonds4

About 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide

4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 26944548) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID26944548
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3/t12-/m1/s1
InChIKeyUOOVXORHTINFJU-GFCCVEGCSA-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

4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
CID 61067105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 26944548) is 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is UOOVXORHTINFJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3/t12-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]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-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 26944548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).