4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide

C15H14ClF3N2O3S — CID 39656241

IUPAC4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H14ClF3N2O3S/c1-10-7-12(16)4-5-13(10)25(22,23)21-8-11-3-2-6-20-14(11)24-9-15(17,18)19/h2-7,21H,8-9H2,1H3
InChIKeyBHSXAJFRNDXPLV-UHFFFAOYSA-N
MW394.80 g/mol
LogP3.46
Rot. Bonds6

About 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide

4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 39656241) has the molecular formula C15H14ClF3N2O3S and a molecular weight of 394.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID39656241
Molecular FormulaC15H14ClF3N2O3S
Molecular Weight394.80 g/mol
Exact Mass394.04
IUPAC Name4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H14ClF3N2O3S/c1-10-7-12(16)4-5-13(10)25(22,23)21-8-11-3-2-6-20-14(11)24-9-15(17,18)19/h2-7,21H,8-9H2,1H3
InChIKeyBHSXAJFRNDXPLV-UHFFFAOYSA-N
XLogP3.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]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 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide (CID 39656241) is 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is BHSXAJFRNDXPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3S/c1-10-7-12(16)4-5-13(10)25(22,23)21-8-11-3-2-6-20-14(11)24-9-15(17,18)19/h2-7,21H,8-9H2,1H3.
What are the key properties of 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide?
4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 394.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39656241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).