4-(benzenesulfonyl)-1H-pyrazol-5-amine

C9H9N3O2S — CID 1491596

IUPAC4-(benzenesulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c10-9-8(6-11-12-9)15(13,14)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKeyPWCMYVJXHPBJNZ-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.82
Rot. Bonds2

About 4-(benzenesulfonyl)-1H-pyrazol-5-amine

4-(benzenesulfonyl)-1H-pyrazol-5-amine (PubChem CID 1491596) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1H-pyrazol-5-amine
PubChem CID1491596
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4-(benzenesulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c10-9-8(6-11-12-9)15(13,14)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKeyPWCMYVJXHPBJNZ-UHFFFAOYSA-N
XLogP0.82
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-1H-pyrazol-5-amine (CID 1491596) is 4-(benzenesulfonyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-1H-pyrazol-5-amine?
The InChIKey is PWCMYVJXHPBJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-9-8(6-11-12-9)15(13,14)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12).
What are the key properties of 4-(benzenesulfonyl)-1H-pyrazol-5-amine?
4-(benzenesulfonyl)-1H-pyrazol-5-amine has a molecular weight of 223.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 1491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).