N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide

C15H16ClNO2S — CID 6464300

IUPACN-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c16-15-8-4-7-13(11-15)9-10-17-20(18,19)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2
InChIKeyYAXTWGHJHFUXRB-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 6464300) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID6464300
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c16-15-8-4-7-13(11-15)9-10-17-20(18,19)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2
InChIKeyYAXTWGHJHFUXRB-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 N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide (CID 6464300) is N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is YAXTWGHJHFUXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-15-8-4-7-13(11-15)9-10-17-20(18,19)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide 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 N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 6464300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).