4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C13H10ClF3N2O4S2 — CID 3471367

IUPAC4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10ClF3N2O4S2/c14-12-6-5-10(7-11(12)13(15,16)17)25(22,23)19-8-1-3-9(4-2-8)24(18,20)21/h1-7,19H,(H2,18,20,21)
InChIKeyQFAIPOLSAQUHCD-UHFFFAOYSA-N
MW414.81 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3471367) has the molecular formula C13H10ClF3N2O4S2 and a molecular weight of 414.81 g/mol. Its IUPAC name is 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3471367
Molecular FormulaC13H10ClF3N2O4S2
Molecular Weight414.81 g/mol
Exact Mass413.97
IUPAC Name4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10ClF3N2O4S2/c14-12-6-5-10(7-11(12)13(15,16)17)25(22,23)19-8-1-3-9(4-2-8)24(18,20)21/h1-7,19H,(H2,18,20,21)
InChIKeyQFAIPOLSAQUHCD-UHFFFAOYSA-N
XLogP2.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 52.81
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-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3471367) is 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QFAIPOLSAQUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O4S2/c14-12-6-5-10(7-11(12)13(15,16)17)25(22,23)19-8-1-3-9(4-2-8)24(18,20)21/h1-7,19H,(H2,18,20,21).
What are the key properties of 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.81 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-sulfamoylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3471367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).