4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C14H12ClF3N2O4S2 — CID 17477629

IUPAC4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12ClF3N2O4S2/c1-19-25(21,22)10-4-2-9(3-5-10)20-26(23,24)11-6-7-13(15)12(8-11)14(16,17)18/h2-8,19-20H,1H3
InChIKeyXEQWBUPZQKZSMW-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.07
Rot. Bonds5

About 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 17477629) has the molecular formula C14H12ClF3N2O4S2 and a molecular weight of 428.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID17477629
Molecular FormulaC14H12ClF3N2O4S2
Molecular Weight428.84 g/mol
Exact Mass427.99
IUPAC Name4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12ClF3N2O4S2/c1-19-25(21,22)10-4-2-9(3-5-10)20-26(23,24)11-6-7-13(15)12(8-11)14(16,17)18/h2-8,19-20H,1H3
InChIKeyXEQWBUPZQKZSMW-UHFFFAOYSA-N
XLogP3.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 17477629) is 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XEQWBUPZQKZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O4S2/c1-19-25(21,22)10-4-2-9(3-5-10)20-26(23,24)11-6-7-13(15)12(8-11)14(16,17)18/h2-8,19-20H,1H3.
What are the key properties of 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.84 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17477629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).