4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C16H16N4O2S — CID 162671470

IUPAC4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-n2nccc2NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-12-2-6-14(7-3-12)20-16(10-11-18-20)19-23(21,22)15-8-4-13(17)5-9-15/h2-11,19H,17H2,1H3
InChIKeyXXCIJUUFMKJGRA-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.56
Rot. Bonds4

About 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 162671470) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID162671470
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-n2nccc2NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-12-2-6-14(7-3-12)20-16(10-11-18-20)19-23(21,22)15-8-4-13(17)5-9-15/h2-11,19H,17H2,1H3
InChIKeyXXCIJUUFMKJGRA-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 162671470) is 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is XXCIJUUFMKJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-12-2-6-14(7-3-12)20-16(10-11-18-20)19-23(21,22)15-8-4-13(17)5-9-15/h2-11,19H,17H2,1H3.
What are the key properties of 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 162671470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).