N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H13ClF3NO4S — CID 17488023

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C15H13ClF3NO4S/c1-23-12-7-10(16)11(8-13(12)24-2)20-25(21,22)14-6-4-3-5-9(14)15(17,18)19/h3-8,20H,1-2H3
InChIKeyWJGHKWKOKHRENV-UHFFFAOYSA-N
MW395.79 g/mol
LogP4.18
Rot. Bonds5

About N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 17488023) has the molecular formula C15H13ClF3NO4S and a molecular weight of 395.79 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID17488023
Molecular FormulaC15H13ClF3NO4S
Molecular Weight395.79 g/mol
Exact Mass395.02
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C15H13ClF3NO4S/c1-23-12-7-10(16)11(8-13(12)24-2)20-25(21,22)14-6-4-3-5-9(14)15(17,18)19/h3-8,20H,1-2H3
InChIKeyWJGHKWKOKHRENV-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 17488023) is N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is COc1cc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WJGHKWKOKHRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO4S/c1-23-12-7-10(16)11(8-13(12)24-2)20-25(21,22)14-6-4-3-5-9(14)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 395.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17488023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).