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

C15H14ClF3N2O4S2 — CID 2106325

IUPAC4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-21(2)27(24,25)11-5-3-10(4-6-11)20-26(22,23)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,1-2H3
InChIKeyFYESSNOLBJUPSH-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.41
Rot. Bonds5

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

4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2106325) has the molecular formula C15H14ClF3N2O4S2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2106325
Molecular FormulaC15H14ClF3N2O4S2
Molecular Weight442.87 g/mol
Exact Mass442.00
IUPAC Name4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-21(2)27(24,25)11-5-3-10(4-6-11)20-26(22,23)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,1-2H3
InChIKeyFYESSNOLBJUPSH-UHFFFAOYSA-N
XLogP3.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 2106325) is 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FYESSNOLBJUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O4S2/c1-21(2)27(24,25)11-5-3-10(4-6-11)20-26(22,23)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,1-2H3.
What are the key properties of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 442.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2106325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).