N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide

C14H14ClNO2S — CID 1265100

IUPACN-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3
InChIKeyWGYHSLRUULIQAX-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide

N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide (PubChem CID 1265100) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide
PubChem CID1265100
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3
InChIKeyWGYHSLRUULIQAX-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide (CID 1265100) is N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide?
The InChIKey is WGYHSLRUULIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide?
N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 1265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).