3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole

C23H20Cl2N2O2S — CID 141173984

IUPAC3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole
SMILESCC1=C(c2ccccc2)C(c2ccc(Cl)cc2)N(S(=O)(=O)c2cccc(Cl)c2)N1C
InChIInChI=1S/C23H20Cl2N2O2S/c1-16-22(17-7-4-3-5-8-17)23(18-11-13-19(24)14-12-18)27(26(16)2)30(28,29)21-10-6-9-20(25)15-21/h3-15,23H,1-2H3
InChIKeyRFAMYJBWNOSHHB-UHFFFAOYSA-N
MW459.40 g/mol
LogP6.02
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole

3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole (PubChem CID 141173984) has the molecular formula C23H20Cl2N2O2S and a molecular weight of 459.40 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole
PubChem CID141173984
Molecular FormulaC23H20Cl2N2O2S
Molecular Weight459.40 g/mol
Exact Mass458.06
IUPAC Name3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole
SMILESCC1=C(c2ccccc2)C(c2ccc(Cl)cc2)N(S(=O)(=O)c2cccc(Cl)c2)N1C
InChIInChI=1S/C23H20Cl2N2O2S/c1-16-22(17-7-4-3-5-8-17)23(18-11-13-19(24)14-12-18)27(26(16)2)30(28,29)21-10-6-9-20(25)15-21/h3-15,23H,1-2H3
InChIKeyRFAMYJBWNOSHHB-UHFFFAOYSA-N
XLogP6.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole (CID 141173984) is 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole is CC1=C(c2ccccc2)C(c2ccc(Cl)cc2)N(S(=O)(=O)c2cccc(Cl)c2)N1C.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole?
The InChIKey is RFAMYJBWNOSHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2S/c1-16-22(17-7-4-3-5-8-17)23(18-11-13-19(24)14-12-18)27(26(16)2)30(28,29)21-10-6-9-20(25)15-21/h3-15,23H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole?
3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole has a molecular weight of 459.40 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-1,5-dimethyl-4-phenyl-3H-pyrazole is sourced from PubChem (CID 141173984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).