2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide

C14H11ClF3NO4S2 — CID 17497606

IUPAC2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)11-5-3-10(4-6-11)19-25(22,23)13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3
InChIKeyIOIJGWJPXKPLNO-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 17497606) has the molecular formula C14H11ClF3NO4S2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID17497606
Molecular FormulaC14H11ClF3NO4S2
Molecular Weight413.83 g/mol
Exact Mass412.98
IUPAC Name2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)11-5-3-10(4-6-11)19-25(22,23)13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3
InChIKeyIOIJGWJPXKPLNO-UHFFFAOYSA-N
XLogP3.56
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide (CID 17497606) is 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IOIJGWJPXKPLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S2/c1-24(20,21)11-5-3-10(4-6-11)19-25(22,23)13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3.
What are the key properties of 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 413.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17497606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).