3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide

C18H15Cl2N3O3S — CID 19932371

IUPAC3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide
SMILESCc1cccc(N(C)C(=O)n2ccc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)n2)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-12-4-3-5-15(8-12)22(2)18(24)23-7-6-17(21-23)27(25,26)16-10-13(19)9-14(20)11-16/h3-11H,1-2H3
InChIKeySKUGLRRGCOOJNS-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.44
Rot. Bonds3

About 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide

3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide (PubChem CID 19932371) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide
PubChem CID19932371
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide
SMILESCc1cccc(N(C)C(=O)n2ccc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)n2)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-12-4-3-5-15(8-12)22(2)18(24)23-7-6-17(21-23)27(25,26)16-10-13(19)9-14(20)11-16/h3-11H,1-2H3
InChIKeySKUGLRRGCOOJNS-UHFFFAOYSA-N
XLogP4.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide (CID 19932371) is 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide is Cc1cccc(N(C)C(=O)n2ccc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)n2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide?
The InChIKey is SKUGLRRGCOOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c1-12-4-3-5-15(8-12)22(2)18(24)23-7-6-17(21-23)27(25,26)16-10-13(19)9-14(20)11-16/h3-11H,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide?
3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide has a molecular weight of 424.31 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)sulfonyl-N-methyl-N-(3-methylphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 19932371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).