1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide

C15H16ClNO2S — CID 715210

IUPAC1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-15-9-5-4-8-14(15)12-20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyKRECLBMYTRJYFR-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide (PubChem CID 715210) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
PubChem CID715210
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-15-9-5-4-8-14(15)12-20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyKRECLBMYTRJYFR-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide (CID 715210) is 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is KRECLBMYTRJYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-15-9-5-4-8-14(15)12-20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-12H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 715210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).