N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C19H13ClF4N2O2S — CID 141280156

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N2O2S/c20-16-10-14(19(22,23)24)11-25-18(16)26(12-13-6-4-5-9-17(13)21)29(27,28)15-7-2-1-3-8-15/h1-11H,12H2
InChIKeyUPULDJDADOMMSV-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.29
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 141280156) has the molecular formula C19H13ClF4N2O2S and a molecular weight of 444.84 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID141280156
Molecular FormulaC19H13ClF4N2O2S
Molecular Weight444.84 g/mol
Exact Mass444.03
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N2O2S/c20-16-10-14(19(22,23)24)11-25-18(16)26(12-13-6-4-5-9-17(13)21)29(27,28)15-7-2-1-3-8-15/h1-11H,12H2
InChIKeyUPULDJDADOMMSV-UHFFFAOYSA-N
XLogP5.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]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 N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 141280156) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is UPULDJDADOMMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O2S/c20-16-10-14(19(22,23)24)11-25-18(16)26(12-13-6-4-5-9-17(13)21)29(27,28)15-7-2-1-3-8-15/h1-11H,12H2.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 444.84 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 141280156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).