4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide

C12H14N4O2S — CID 82900434

IUPAC4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H14N4O2S/c13-10-4-3-9(19(14,17)18)7-12(10)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,13H2,(H2,14,17,18)
InChIKeyJJAPZCLSZXSSDB-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.98
Rot. Bonds3

About 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide

4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide (PubChem CID 82900434) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide
PubChem CID82900434
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H14N4O2S/c13-10-4-3-9(19(14,17)18)7-12(10)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,13H2,(H2,14,17,18)
InChIKeyJJAPZCLSZXSSDB-UHFFFAOYSA-N
XLogP0.98
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.98
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-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide (CID 82900434) is 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1-n1ccc(C2CC2)n1.
What is the InChIKey of 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is JJAPZCLSZXSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-10-4-3-9(19(14,17)18)7-12(10)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,13H2,(H2,14,17,18).
What are the key properties of 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide?
4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-cyclopropylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 82900434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).