4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide

C15H14N4O2S — CID 19355820

IUPAC4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C15H14N4O2S/c1-19-10-14(15(18-19)12-6-8-17-9-7-12)11-2-4-13(5-3-11)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeyNQOPVJZWYJSGOQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.80
Rot. Bonds3

About 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide

4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide (PubChem CID 19355820) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide
PubChem CID19355820
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C15H14N4O2S/c1-19-10-14(15(18-19)12-6-8-17-9-7-12)11-2-4-13(5-3-11)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeyNQOPVJZWYJSGOQ-UHFFFAOYSA-N
XLogP1.80
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide (CID 19355820) is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide is Cn1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is NQOPVJZWYJSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-19-10-14(15(18-19)12-6-8-17-9-7-12)11-2-4-13(5-3-11)22(16,20)21/h2-10H,1H3,(H2,16,20,21).
What are the key properties of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide?
4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 19355820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).