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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Related Compounds

1-pyridin-4-ylpyrazole-4-sulfonamide
CID 61394896
(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165469999
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrazole
CID 23445015
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
1-pyrazin-2-ylpyrazole-4-sulfonamide
CID 81042718
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 107889713
1-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 82881117
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054

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).