N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

C14H13ClFNO2S — CID 2986389

IUPACN-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyFUSGEAYLXNSCHH-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.45
Rot. Bonds4

About N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (PubChem CID 2986389) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
PubChem CID2986389
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyFUSGEAYLXNSCHH-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (CID 2986389) is N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is FUSGEAYLXNSCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 2986389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).