4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C15H12N6O2S — CID 10617103

IUPAC4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N6O2S/c16-20-18-12-6-8-14(9-7-12)24(22,23)19-15-10-11-17-21(15)13-4-2-1-3-5-13/h1-11,19H
InChIKeySIKBGJGGGFIHNU-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.61
Rot. Bonds5

About 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10617103) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10617103
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C15H12N6O2S/c16-20-18-12-6-8-14(9-7-12)24(22,23)19-15-10-11-17-21(15)13-4-2-1-3-5-13/h1-11,19H
InChIKeySIKBGJGGGFIHNU-UHFFFAOYSA-N
XLogP3.61
TPSA112.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10617103) is 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is [N-]=[N+]=Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SIKBGJGGGFIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c16-20-18-12-6-8-14(9-7-12)24(22,23)19-15-10-11-17-21(15)13-4-2-1-3-5-13/h1-11,19H.
What are the key properties of 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 340.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10617103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).