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

C21H14Cl3N3O2S — CID 67580480

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

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

2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580480) has the molecular formula C21H14Cl3N3O2S and a molecular weight of 478.79 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580480
Molecular FormulaC21H14Cl3N3O2S
Molecular Weight478.79 g/mol
Exact Mass476.99
IUPAC Name2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-9-5-13(6-10-15)20-19(24)21(14-7-11-16(23)12-8-14)27(26-20)17-3-1-2-4-18(17)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyZWWPXSMROLSFGX-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 67580480) is 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ZWWPXSMROLSFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2S/c22-15-9-5-13(6-10-15)20-19(24)21(14-7-11-16(23)12-8-14)27(26-20)17-3-1-2-4-18(17)30(25,28)29/h1-12H,(H2,25,28,29).
What are the key properties of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
2-[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 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).