3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C15H14N4O2S — CID 70549880

IUPAC3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O2S/c16-12-5-4-8-14(11-12)22(20,21)18-15-9-10-17-19(15)13-6-2-1-3-7-13/h1-11,18H,16H2
InChIKeyCWSYFKKTOAFUJX-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 70549880) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID70549880
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O2S/c16-12-5-4-8-14(11-12)22(20,21)18-15-9-10-17-19(15)13-6-2-1-3-7-13/h1-11,18H,16H2
InChIKeyCWSYFKKTOAFUJX-UHFFFAOYSA-N
XLogP2.26
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.26
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 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 70549880) is 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1.
What is the InChIKey of 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is CWSYFKKTOAFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-12-5-4-8-14(11-12)22(20,21)18-15-9-10-17-19(15)13-6-2-1-3-7-13/h1-11,18H,16H2.
What are the key properties of 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 70549880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).