4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide

C19H15Cl4N3O3S — CID 19932091

IUPAC4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1cc(Cl)c(S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H15Cl4N3O3S/c1-11(2)26(15-5-3-4-12(20)7-15)19(27)25-10-17(23)18(24-25)30(28,29)16-8-13(21)6-14(22)9-16/h3-11H,1-2H3
InChIKeyPXPWQDZOTVOKHT-UHFFFAOYSA-N
MW507.23 g/mol
LogP6.21
Rot. Bonds4

About 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide

4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 19932091) has the molecular formula C19H15Cl4N3O3S and a molecular weight of 507.23 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID19932091
Molecular FormulaC19H15Cl4N3O3S
Molecular Weight507.23 g/mol
Exact Mass504.96
IUPAC Name4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1cc(Cl)c(S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H15Cl4N3O3S/c1-11(2)26(15-5-3-4-12(20)7-15)19(27)25-10-17(23)18(24-25)30(28,29)16-8-13(21)6-14(22)9-16/h3-11H,1-2H3
InChIKeyPXPWQDZOTVOKHT-UHFFFAOYSA-N
XLogP6.21
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.23
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide (CID 19932091) is 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide is CC(C)N(C(=O)n1cc(Cl)c(S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1)c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is PXPWQDZOTVOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl4N3O3S/c1-11(2)26(15-5-3-4-12(20)7-15)19(27)25-10-17(23)18(24-25)30(28,29)16-8-13(21)6-14(22)9-16/h3-11H,1-2H3.
What are the key properties of 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide?
4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 507.23 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 19932091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).