N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide

C14H14ClNO2S — CID 808292

IUPACN-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-14-8-6-12(7-9-14)10-16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyOXGSQFPYOHAZFX-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide

N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 808292) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide
PubChem CID808292
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-14-8-6-12(7-9-14)10-16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyOXGSQFPYOHAZFX-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.96
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]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide (CID 808292) is N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is OXGSQFPYOHAZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-14-8-6-12(7-9-14)10-16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,10-11H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 808292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).