2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C19H14ClF3N2O2S — CID 17479801

IUPAC2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c20-15-10-9-14(19(21,22)23)12-17(15)28(26,27)25-18(13-6-2-1-3-7-13)16-8-4-5-11-24-16/h1-12,18,25H
InChIKeyVRIXWDGEULGIPJ-UHFFFAOYSA-N
MW426.85 g/mol
LogP4.82
Rot. Bonds5

About 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 17479801) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID17479801
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC Name2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c20-15-10-9-14(19(21,22)23)12-17(15)28(26,27)25-18(13-6-2-1-3-7-13)16-8-4-5-11-24-16/h1-12,18,25H
InChIKeyVRIXWDGEULGIPJ-UHFFFAOYSA-N
XLogP4.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 17479801) is 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccn1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VRIXWDGEULGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c20-15-10-9-14(19(21,22)23)12-17(15)28(26,27)25-18(13-6-2-1-3-7-13)16-8-4-5-11-24-16/h1-12,18,25H.
What are the key properties of 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 426.85 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17479801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).