4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide

C10H9N3O3S — CID 19751025

IUPAC4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide
SMILESCC1=C(c2ccc(S(N)(=O)=O)cc2)C(=O)N=N1
InChIInChI=1S/C10H9N3O3S/c1-6-9(10(14)13-12-6)7-2-4-8(5-3-7)17(11,15)16/h2-5H,1H3,(H2,11,15,16)
InChIKeyOHAPXFBXPPTNJC-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.06
Rot. Bonds2

About 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide

4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide (PubChem CID 19751025) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide
PubChem CID19751025
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide
SMILESCC1=C(c2ccc(S(N)(=O)=O)cc2)C(=O)N=N1
InChIInChI=1S/C10H9N3O3S/c1-6-9(10(14)13-12-6)7-2-4-8(5-3-7)17(11,15)16/h2-5H,1H3,(H2,11,15,16)
InChIKeyOHAPXFBXPPTNJC-UHFFFAOYSA-N
XLogP1.06
TPSA101.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide (CID 19751025) is 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide is CC1=C(c2ccc(S(N)(=O)=O)cc2)C(=O)N=N1.
What is the InChIKey of 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide?
The InChIKey is OHAPXFBXPPTNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-6-9(10(14)13-12-6)7-2-4-8(5-3-7)17(11,15)16/h2-5H,1H3,(H2,11,15,16).
What are the key properties of 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide?
4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide has a molecular weight of 251.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 19751025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).