4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H13ClF3NO4S — CID 26970163

IUPAC4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1
InChIInChI=1S/C15H13ClF3NO4S/c1-23-11-6-10(7-12(8-11)24-2)20-25(21,22)14-4-3-9(16)5-13(14)15(17,18)19/h3-8,20H,1-2H3
InChIKeyBEGZJIMUXUBWJJ-UHFFFAOYSA-N
MW395.79 g/mol
LogP4.18
Rot. Bonds5

About 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 26970163) has the molecular formula C15H13ClF3NO4S and a molecular weight of 395.79 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID26970163
Molecular FormulaC15H13ClF3NO4S
Molecular Weight395.79 g/mol
Exact Mass395.02
IUPAC Name4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1
InChIInChI=1S/C15H13ClF3NO4S/c1-23-11-6-10(7-12(8-11)24-2)20-25(21,22)14-4-3-9(16)5-13(14)15(17,18)19/h3-8,20H,1-2H3
InChIKeyBEGZJIMUXUBWJJ-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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Related Compounds

N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 26970163) is 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1.
What is the InChIKey of 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BEGZJIMUXUBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO4S/c1-23-11-6-10(7-12(8-11)24-2)20-25(21,22)14-4-3-9(16)5-13(14)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(3,5-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 4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26970163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).