2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide

C21H14Cl3N3O2S — CID 67580377

IUPAC2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyMIZDAYLOTHABGT-UHFFFAOYSA-N
MW478.79 g/mol
LogP5.81
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580377) has the molecular formula C21H14Cl3N3O2S and a molecular weight of 478.79 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580377
Molecular FormulaC21H14Cl3N3O2S
Molecular Weight478.79 g/mol
Exact Mass476.99
IUPAC Name2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyMIZDAYLOTHABGT-UHFFFAOYSA-N
XLogP5.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67579897
2-[3,5-bis(4-bromophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580581
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580507
2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580133
1-[4-[5-(3-chloro-4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]phenyl]-1-hydroxyurea
CID 22505133
5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67647700
bis(carbamothioic S-acid);5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)-3-phenylpyrazole;methane;hydrate
CID 173224241
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 67580377) is 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is MIZDAYLOTHABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 478.79 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).