4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide

C10H11N5O3S — CID 833024

IUPAC4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)/b14-13+
InChIKeyPPPCECBGVVZDCS-BUHFOSPRSA-N
MW281.30 g/mol
LogP1.07
Rot. Bonds3

About 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide

4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide (PubChem CID 833024) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
PubChem CID833024
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)/b14-13+
InChIKeyPPPCECBGVVZDCS-BUHFOSPRSA-N
XLogP1.07
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide (CID 833024) is 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide is Cc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The InChIKey is PPPCECBGVVZDCS-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)/b14-13+.
What are the key properties of 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 833024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).