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

C11H14N4O2S — CID 61176027

IUPAC4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1N
InChIInChI=1S/C11H14N4O2S/c1-7-11(12)8(2)15(14-7)9-3-5-10(6-4-9)18(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyLQOGOOLRQDMFLU-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.72
Rot. Bonds2

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

4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (PubChem CID 61176027) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
PubChem CID61176027
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1N
InChIInChI=1S/C11H14N4O2S/c1-7-11(12)8(2)15(14-7)9-3-5-10(6-4-9)18(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17)
InChIKeyLQOGOOLRQDMFLU-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (CID 61176027) is 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1N.
What is the InChIKey of 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is LQOGOOLRQDMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-11(12)8(2)15(14-7)9-3-5-10(6-4-9)18(13,16)17/h3-6H,12H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
4-(4-amino-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-(4-amino-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 61176027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).