4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C14H10ClF4NO2S — CID 2427254

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4NO2S/c15-13-6-5-11(7-12(13)14(17,18)19)23(21,22)20-8-9-1-3-10(16)4-2-9/h1-7,20H,8H2
InChIKeyLSRKDFGWZVXBOM-UHFFFAOYSA-N
MW367.75 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2427254) has the molecular formula C14H10ClF4NO2S and a molecular weight of 367.75 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2427254
Molecular FormulaC14H10ClF4NO2S
Molecular Weight367.75 g/mol
Exact Mass367.01
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4NO2S/c15-13-6-5-11(7-12(13)14(17,18)19)23(21,22)20-8-9-1-3-10(16)4-2-9/h1-7,20H,8H2
InChIKeyLSRKDFGWZVXBOM-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 2427254) is 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LSRKDFGWZVXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO2S/c15-13-6-5-11(7-12(13)14(17,18)19)23(21,22)20-8-9-1-3-10(16)4-2-9/h1-7,20H,8H2.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 367.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2427254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).