4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H10Cl2F3NO4S2 — CID 57378321

IUPAC4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3NO4S2/c1-25(21,22)13-5-2-8(15)6-12(13)20-26(23,24)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
InChIKeyKWDGFYDHCVJPLJ-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.22
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 57378321) has the molecular formula C14H10Cl2F3NO4S2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID57378321
Molecular FormulaC14H10Cl2F3NO4S2
Molecular Weight448.27 g/mol
Exact Mass446.94
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3NO4S2/c1-25(21,22)13-5-2-8(15)6-12(13)20-26(23,24)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
InChIKeyKWDGFYDHCVJPLJ-UHFFFAOYSA-N
XLogP4.22
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
2-[2-(2-Chlorophenyl)ethenesulfonamido]benzene-1-sulfonamide
CID 42646765
US9663460, Example 62
CID 57377341
US9663460, Example 63
CID 57377342
US9663460, Example 1
CID 57378320
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
US9663460, Example 15
CID 57378423
US9663460, Example 18
CID 57378424
US9663460, Example 17
CID 57378425
4-chloro-N-{5-chloro-2-[(3-hydroxycyclopentyl)sulfinyl]phenyl}-3-(trifluoromethyl)benzenesulfonamide
CID 57378524
4-chloro-N-[5-chloro-2-(ethylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 57378321) is 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KWDGFYDHCVJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO4S2/c1-25(21,22)13-5-2-8(15)6-12(13)20-26(23,24)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 448.27 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57378321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).