4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide

C16H16N4O2S — CID 162659454

IUPAC4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1
InChIInChI=1S/C16H16N4O2S/c17-14-6-8-15(9-7-14)23(21,22)19-16-10-11-18-20(16)12-13-4-2-1-3-5-13/h1-11,19H,12,17H2
InChIKeyANDNDBIBZPRVRK-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide

4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide (PubChem CID 162659454) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide
PubChem CID162659454
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1
InChIInChI=1S/C16H16N4O2S/c17-14-6-8-15(9-7-14)23(21,22)19-16-10-11-18-20(16)12-13-4-2-1-3-5-13/h1-11,19H,12,17H2
InChIKeyANDNDBIBZPRVRK-UHFFFAOYSA-N
XLogP2.31
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.31
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-benzylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide (CID 162659454) is 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is ANDNDBIBZPRVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c17-14-6-8-15(9-7-14)23(21,22)19-16-10-11-18-20(16)12-13-4-2-1-3-5-13/h1-11,19H,12,17H2.
What are the key properties of 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-benzylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162659454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).