N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C14H11ClF3NO3S — CID 60597504

IUPACN-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-22-9-6-7-12(11(15)8-9)19-23(20,21)13-5-3-2-4-10(13)14(16,17)18/h2-8,19H,1H3
InChIKeyYPSADRSZGQPTCS-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.17
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 60597504) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID60597504
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-22-9-6-7-12(11(15)8-9)19-23(20,21)13-5-3-2-4-10(13)14(16,17)18/h2-8,19H,1H3
InChIKeyYPSADRSZGQPTCS-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 60597504) is N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YPSADRSZGQPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-22-9-6-7-12(11(15)8-9)19-23(20,21)13-5-3-2-4-10(13)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60597504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).