5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide

C9H7Cl2N3O2S — CID 61395320

IUPAC5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3O2S/c10-5-1-2-6(7(11)3-5)9-8(4-13-14-9)17(12,15)16/h1-4H,(H,13,14)(H2,12,15,16)
InChIKeyAAVSVEMUSIIZLE-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.03
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide

5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61395320) has the molecular formula C9H7Cl2N3O2S and a molecular weight of 292.15 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61395320
Molecular FormulaC9H7Cl2N3O2S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3O2S/c10-5-1-2-6(7(11)3-5)9-8(4-13-14-9)17(12,15)16/h1-4H,(H,13,14)(H2,12,15,16)
InChIKeyAAVSVEMUSIIZLE-UHFFFAOYSA-N
XLogP2.03
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide (CID 61395320) is 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide is NS(=O)(=O)c1cn[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AAVSVEMUSIIZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2S/c10-5-1-2-6(7(11)3-5)9-8(4-13-14-9)17(12,15)16/h1-4H,(H,13,14)(H2,12,15,16).
What are the key properties of 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide?
5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 292.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61395320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).