N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

C20H14Cl2F3NO4S2 — CID 169370810

IUPACN-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2F3NO4S2/c1-12-2-6-15(7-3-12)32(29,30)26-18-10-16(20(23,24)25)17(22)11-19(18)31(27,28)14-8-4-13(21)5-9-14/h2-11,26H,1H3
InChIKeyFPJUDLBEXCRIFR-UHFFFAOYSA-N
MW524.37 g/mol
LogP5.95
Rot. Bonds5

About N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370810) has the molecular formula C20H14Cl2F3NO4S2 and a molecular weight of 524.37 g/mol. Its IUPAC name is N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370810
Molecular FormulaC20H14Cl2F3NO4S2
Molecular Weight524.37 g/mol
Exact Mass522.97
IUPAC NameN-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2F3NO4S2/c1-12-2-6-15(7-3-12)32(29,30)26-18-10-16(20(23,24)25)17(22)11-19(18)31(27,28)14-8-4-13(21)5-9-14/h2-11,26H,1H3
InChIKeyFPJUDLBEXCRIFR-UHFFFAOYSA-N
XLogP5.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.37
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
2-[[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168542419
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-[2-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373053
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
2-chloro-5-(4-chlorophenoxy)-4-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 169372336
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3674738

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 169370810) is N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FPJUDLBEXCRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3NO4S2/c1-12-2-6-15(7-3-12)32(29,30)26-18-10-16(20(23,24)25)17(22)11-19(18)31(27,28)14-8-4-13(21)5-9-14/h2-11,26H,1H3.
What are the key properties of N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 524.37 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).