2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

C18H14ClF3N2O4S — CID 78881130

IUPAC2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccon1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O4S/c1-27-16-5-3-2-4-15(16)24(11-13-8-9-28-23-13)29(25,26)17-10-12(18(20,21)22)6-7-14(17)19/h2-10H,11H2,1H3
InChIKeyOCCRYGWPXWDBGX-UHFFFAOYSA-N
MW446.83 g/mol
LogP4.75
Rot. Bonds6

About 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 78881130) has the molecular formula C18H14ClF3N2O4S and a molecular weight of 446.83 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID78881130
Molecular FormulaC18H14ClF3N2O4S
Molecular Weight446.83 g/mol
Exact Mass446.03
IUPAC Name2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccon1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O4S/c1-27-16-5-3-2-4-15(16)24(11-13-8-9-28-23-13)29(25,26)17-10-12(18(20,21)22)6-7-14(17)19/h2-10H,11H2,1H3
InChIKeyOCCRYGWPXWDBGX-UHFFFAOYSA-N
XLogP4.75
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-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-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 78881130) is 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is COc1ccccc1N(Cc1ccon1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OCCRYGWPXWDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O4S/c1-27-16-5-3-2-4-15(16)24(11-13-8-9-28-23-13)29(25,26)17-10-12(18(20,21)22)6-7-14(17)19/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 446.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 78881130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).