N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide

C15H16BrNO2S — CID 81397801

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-11-7-3-6-10-15(11)20(18,19)17-12(2)13-8-4-5-9-14(13)16/h3-10,12,17H,1-2H3/t12-/m0/s1
InChIKeyBZMMVEYXCYGFJD-LBPRGKRZSA-N
MW354.27 g/mol
LogP3.80
Rot. Bonds4

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 81397801) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID81397801
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-11-7-3-6-10-15(11)20(18,19)17-12(2)13-8-4-5-9-14(13)16/h3-10,12,17H,1-2H3/t12-/m0/s1
InChIKeyBZMMVEYXCYGFJD-LBPRGKRZSA-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

2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide (CID 81397801) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is BZMMVEYXCYGFJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-11-7-3-6-10-15(11)20(18,19)17-12(2)13-8-4-5-9-14(13)16/h3-10,12,17H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide 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 N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 81397801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).