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

C15H16ClNO2S — CID 81378158

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/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
InChIKeyPVYYODGPGQKODS-LBPRGKRZSA-N
MW309.82 g/mol
LogP3.69
Rot. Bonds4

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

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 81378158) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID81378158
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/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
InChIKeyPVYYODGPGQKODS-LBPRGKRZSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 55352429
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999444
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 81378158) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is PVYYODGPGQKODS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClNO2S/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-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.69, 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-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 81378158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).