N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide

C9H12ClNO2S — CID 81371987

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyBHCBVLXMNDLWJT-ZETCQYMHSA-N
MW233.72 g/mol
LogP1.95
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide

N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide (PubChem CID 81371987) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide
PubChem CID81371987
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyBHCBVLXMNDLWJT-ZETCQYMHSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide (CID 81371987) is N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide?
The InChIKey is BHCBVLXMNDLWJT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 81371987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).