N-[(4-chlorophenyl)methyl]ethanesulfonamide

C9H12ClNO2S — CID 4140364

IUPACN-[(4-chlorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyPNPIISNSGIVHIO-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.78
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]ethanesulfonamide

N-[(4-chlorophenyl)methyl]ethanesulfonamide (PubChem CID 4140364) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]ethanesulfonamide
PubChem CID4140364
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-[(4-chlorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyPNPIISNSGIVHIO-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]ethanesulfonamide (CID 4140364) is N-[(4-chlorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The InChIKey is PNPIISNSGIVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]ethanesulfonamide?
N-[(4-chlorophenyl)methyl]ethanesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 4140364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).