N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C14H12ClF2NO2S — CID 4794728

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2NO2S/c1-18(9-10-2-3-12(17)8-14(10)15)21(19,20)13-6-4-11(16)5-7-13/h2-8H,9H2,1H3
InChIKeyAYIKYWAHFOHLKZ-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 4794728) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID4794728
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2NO2S/c1-18(9-10-2-3-12(17)8-14(10)15)21(19,20)13-6-4-11(16)5-7-13/h2-8H,9H2,1H3
InChIKeyAYIKYWAHFOHLKZ-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 4794728) is N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is AYIKYWAHFOHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-18(9-10-2-3-12(17)8-14(10)15)21(19,20)13-6-4-11(16)5-7-13/h2-8H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 4794728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).