5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C22H19ClF3NO4S2 — CID 57430119

IUPAC5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19ClF3NO4S2/c1-15-5-8-20(32(28,29)19-9-6-18(23)7-10-19)14-21(15)33(30,31)27-12-11-16-3-2-4-17(13-16)22(24,25)26/h2-10,13-14,27H,11-12H2,1H3
InChIKeyKVTUXSLHPHXSFY-UHFFFAOYSA-N
MW517.98 g/mol
LogP5.02
Rot. Bonds7

About 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 57430119) has the molecular formula C22H19ClF3NO4S2 and a molecular weight of 517.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID57430119
Molecular FormulaC22H19ClF3NO4S2
Molecular Weight517.98 g/mol
Exact Mass517.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19ClF3NO4S2/c1-15-5-8-20(32(28,29)19-9-6-18(23)7-10-19)14-21(15)33(30,31)27-12-11-16-3-2-4-17(13-16)22(24,25)26/h2-10,13-14,27H,11-12H2,1H3
InChIKeyKVTUXSLHPHXSFY-UHFFFAOYSA-N
XLogP5.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.98
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3813210
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 57430119) is 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is KVTUXSLHPHXSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3NO4S2/c1-15-5-8-20(32(28,29)19-9-6-18(23)7-10-19)14-21(15)33(30,31)27-12-11-16-3-2-4-17(13-16)22(24,25)26/h2-10,13-14,27H,11-12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 517.98 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 57430119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).