4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C15H15N5O2S — CID 6539632

IUPAC4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C15H15N5O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,16H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyGKYWYTPELQGBKI-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.05
Rot. Bonds4

About 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539632) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539632
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C15H15N5O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,16H2,(H2,17,21,22)(H2,18,19,20)
InChIKeyGKYWYTPELQGBKI-UHFFFAOYSA-N
XLogP2.05
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.05
H-Bond Donors ≤ 54
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-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539632) is 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1.
What is the InChIKey of 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is GKYWYTPELQGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,16H2,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-aminophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).