4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

C21H14Cl3N3O2S — CID 54241160

IUPAC4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-5-1-13(2-6-15)20-19(24)21(14-3-7-16(23)8-4-14)27(26-20)17-9-11-18(12-10-17)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyQQCLZAUTLYQRKQ-UHFFFAOYSA-N
MW478.79 g/mol
LogP5.81
Rot. Bonds4

About 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 54241160) has the molecular formula C21H14Cl3N3O2S and a molecular weight of 478.79 g/mol. Its IUPAC name is 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID54241160
Molecular FormulaC21H14Cl3N3O2S
Molecular Weight478.79 g/mol
Exact Mass476.99
IUPAC Name4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-5-1-13(2-6-15)20-19(24)21(14-3-7-16(23)8-4-14)27(26-20)17-9-11-18(12-10-17)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyQQCLZAUTLYQRKQ-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

[3,5-bis(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl] hydrogen carbonate
CID 70280192
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856
4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide
CID 2308529
1-[3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethanone
CID 54443701
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
CID 19587037
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 54241160) is 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QQCLZAUTLYQRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2S/c22-15-5-1-13(2-6-15)20-19(24)21(14-3-7-16(23)8-4-14)27(26-20)17-9-11-18(12-10-17)30(25,28)29/h1-12H,(H2,25,28,29).
What are the key properties of 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-chloro-3,5-bis(4-chlorophenyl)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 4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 54241160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).