4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C14H12ClF3N2O2S — CID 17452020

IUPAC4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12ClF3N2O2S/c1-9(10-4-6-19-7-5-10)20-23(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3
InChIKeyOFZRWXLUELGCFE-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.79
Rot. Bonds4

About 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 17452020) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID17452020
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC Name4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12ClF3N2O2S/c1-9(10-4-6-19-7-5-10)20-23(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3
InChIKeyOFZRWXLUELGCFE-UHFFFAOYSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
2-hydrazinyl-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 61003919
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 107858759
(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
CID 80755920

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 17452020) is 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OFZRWXLUELGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c1-9(10-4-6-19-7-5-10)20-23(21,22)11-2-3-13(15)12(8-11)14(16,17)18/h2-9,20H,1H3.
What are the key properties of 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17452020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).