4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide

C11H7Br2Cl2N3O3S — CID 154649913

IUPAC4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide
SMILESCS(=O)(=O)n1nc(C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1Br
InChIInChI=1S/C11H7Br2Cl2N3O3S/c1-22(20,21)18-10(13)8(12)9(17-18)11(19)16-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,16,19)
InChIKeyKJAQTFQJWSSLDJ-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.77
Rot. Bonds3

About 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide

4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide (PubChem CID 154649913) has the molecular formula C11H7Br2Cl2N3O3S and a molecular weight of 491.98 g/mol. Its IUPAC name is 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide
PubChem CID154649913
Molecular FormulaC11H7Br2Cl2N3O3S
Molecular Weight491.98 g/mol
Exact Mass488.80
IUPAC Name4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide
SMILESCS(=O)(=O)n1nc(C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1Br
InChIInChI=1S/C11H7Br2Cl2N3O3S/c1-22(20,21)18-10(13)8(12)9(17-18)11(19)16-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,16,19)
InChIKeyKJAQTFQJWSSLDJ-UHFFFAOYSA-N
XLogP3.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-bromo-5-chloro-3-[(2,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid
CID 154650029
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1-(methylsulfonylmethyl)pyrazole-3-carboxamide
CID 170083868
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
4-[4-bromo-5-chloro-3-[(2-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid
CID 154649835
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1-(methylsulfonylmethyl)pyrazole-3-carboxamide
CID 170083862
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide (CID 154649913) is 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide is CS(=O)(=O)n1nc(C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide?
The InChIKey is KJAQTFQJWSSLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2Cl2N3O3S/c1-22(20,21)18-10(13)8(12)9(17-18)11(19)16-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,16,19).
What are the key properties of 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide?
4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2,4-dichlorophenyl)-1-methylsulfonylpyrazole-3-carboxamide is sourced from PubChem (CID 154649913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).