4-(3-aminopyrazol-1-yl)benzenesulfonamide

C9H10N4O2S — CID 61176767

IUPAC4-(3-aminopyrazol-1-yl)benzenesulfonamide
SMILESNc1ccn(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C9H10N4O2S/c10-9-5-6-13(12-9)7-1-3-8(4-2-7)16(11,14)15/h1-6H,(H2,10,12)(H2,11,14,15)
InChIKeyBLMMJOFOXMPRMJ-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.10
Rot. Bonds2

About 4-(3-aminopyrazol-1-yl)benzenesulfonamide

4-(3-aminopyrazol-1-yl)benzenesulfonamide (PubChem CID 61176767) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)benzenesulfonamide
PubChem CID61176767
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-(3-aminopyrazol-1-yl)benzenesulfonamide
SMILESNc1ccn(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C9H10N4O2S/c10-9-5-6-13(12-9)7-1-3-8(4-2-7)16(11,14)15/h1-6H,(H2,10,12)(H2,11,14,15)
InChIKeyBLMMJOFOXMPRMJ-UHFFFAOYSA-N
XLogP0.10
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopyrazol-1-yl)benzenesulfonamide (CID 61176767) is 4-(3-aminopyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)benzenesulfonamide is Nc1ccn(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)benzenesulfonamide?
The InChIKey is BLMMJOFOXMPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-9-5-6-13(12-9)7-1-3-8(4-2-7)16(11,14)15/h1-6H,(H2,10,12)(H2,11,14,15).
What are the key properties of 4-(3-aminopyrazol-1-yl)benzenesulfonamide?
4-(3-aminopyrazol-1-yl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 61176767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).