N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H11ClF3NO4S2 — CID 14536140

IUPACN-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-8-10(15)5-6-12(13)19-25(22,23)11-4-2-3-9(7-11)14(16,17)18/h2-8,19H,1H3
InChIKeyROXFGKCMGHFTTE-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.56
Rot. Bonds4

About N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14536140) has the molecular formula C14H11ClF3NO4S2 and a molecular weight of 413.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14536140
Molecular FormulaC14H11ClF3NO4S2
Molecular Weight413.83 g/mol
Exact Mass412.98
IUPAC NameN-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-8-10(15)5-6-12(13)19-25(22,23)11-4-2-3-9(7-11)14(16,17)18/h2-8,19H,1H3
InChIKeyROXFGKCMGHFTTE-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 N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14536140) is N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ROXFGKCMGHFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-8-10(15)5-6-12(13)19-25(22,23)11-4-2-3-9(7-11)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-chloro-2-methylsulfonylphenyl)-3-(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 N-(4-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14536140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).