1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole

C18H17ClN2O4S2 — CID 175728995

IUPAC1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C18H17ClN2O4S2/c1-12-4-8-16(9-5-12)26(22,23)18-13(2)20-21(14(18)3)27(24,25)17-10-6-15(19)7-11-17/h4-11H,1-3H3
InChIKeySCEHWQCTAQUJHV-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole

1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole (PubChem CID 175728995) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
PubChem CID175728995
Molecular FormulaC18H17ClN2O4S2
Molecular Weight424.93 g/mol
Exact Mass424.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C18H17ClN2O4S2/c1-12-4-8-16(9-5-12)26(22,23)18-13(2)20-21(14(18)3)27(24,25)17-10-6-15(19)7-11-17/h4-11H,1-3H3
InChIKeySCEHWQCTAQUJHV-UHFFFAOYSA-N
XLogP3.53
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole (CID 175728995) is 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is SCEHWQCTAQUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-12-4-8-16(9-5-12)26(22,23)18-13(2)20-21(14(18)3)27(24,25)17-10-6-15(19)7-11-17/h4-11H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 424.93 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 175728995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).