2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H13ClFNO2S — CID 2447573

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-17(10-11-5-4-6-12(16)9-11)20(18,19)14-8-3-2-7-13(14)15/h2-9H,10H2,1H3
InChIKeyDIOIYOCLIMCWLI-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide

2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 2447573) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID2447573
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-17(10-11-5-4-6-12(16)9-11)20(18,19)14-8-3-2-7-13(14)15/h2-9H,10H2,1H3
InChIKeyDIOIYOCLIMCWLI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 2447573) is 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is DIOIYOCLIMCWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-17(10-11-5-4-6-12(16)9-11)20(18,19)14-8-3-2-7-13(14)15/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2447573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).