4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide

C11H14N4O2S — CID 82898319

IUPAC4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)n(-c2cc(S(N)(=O)=O)ccc2N)n1
InChIInChI=1S/C11H14N4O2S/c1-7-5-8(2)15(14-7)11-6-9(18(13,16)17)3-4-10(11)12/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyQLJHMBLQFHKHQP-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.72
Rot. Bonds2

About 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide

4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide (PubChem CID 82898319) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
PubChem CID82898319
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)n(-c2cc(S(N)(=O)=O)ccc2N)n1
InChIInChI=1S/C11H14N4O2S/c1-7-5-8(2)15(14-7)11-6-9(18(13,16)17)3-4-10(11)12/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyQLJHMBLQFHKHQP-UHFFFAOYSA-N
XLogP0.72
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.72
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-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide (CID 82898319) is 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide is Cc1cc(C)n(-c2cc(S(N)(=O)=O)ccc2N)n1.
What is the InChIKey of 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is QLJHMBLQFHKHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-5-8(2)15(14-7)11-6-9(18(13,16)17)3-4-10(11)12/h3-6H,12H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 82898319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).