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

C14H11ClF3NO4S2 — CID 14536176

IUPAC4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-5-3-2-4-12(13)19-25(22,23)9-6-7-11(15)10(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyJOHLISGKRFLTDV-UHFFFAOYSA-N
MW413.83 g/mol
LogP3.56
Rot. Bonds4

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

4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14536176) has the molecular formula C14H11ClF3NO4S2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14536176
Molecular FormulaC14H11ClF3NO4S2
Molecular Weight413.83 g/mol
Exact Mass412.98
IUPAC Name4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-5-3-2-4-12(13)19-25(22,23)9-6-7-11(15)10(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyJOHLISGKRFLTDV-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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Related Compounds

4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-fluorobenzoic acid
CID 59303000

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14536176) is 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JOHLISGKRFLTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S2/c1-24(20,21)13-5-3-2-4-12(13)19-25(22,23)9-6-7-11(15)10(8-9)14(16,17)18/h2-8,19H,1H3.
What are the key properties of 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(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 4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14536176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).