1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide

C9H7Cl2N3O2S — CID 61394747

IUPAC1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C9H7Cl2N3O2S/c10-8-2-1-6(3-9(8)11)14-5-7(4-13-14)17(12,15)16/h1-5H,(H2,12,15,16)
InChIKeyDDGJIDQXOAJFCG-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.83
Rot. Bonds2

About 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide

1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide (PubChem CID 61394747) has the molecular formula C9H7Cl2N3O2S and a molecular weight of 292.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
PubChem CID61394747
Molecular FormulaC9H7Cl2N3O2S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C9H7Cl2N3O2S/c10-8-2-1-6(3-9(8)11)14-5-7(4-13-14)17(12,15)16/h1-5H,(H2,12,15,16)
InChIKeyDDGJIDQXOAJFCG-UHFFFAOYSA-N
XLogP1.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide (CID 61394747) is 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide?
The InChIKey is DDGJIDQXOAJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2S/c10-8-2-1-6(3-9(8)11)14-5-7(4-13-14)17(12,15)16/h1-5H,(H2,12,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide?
1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).