4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C17H15N3O4S — CID 52916425

IUPAC4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)17-13(11-21)10-20(19-17)14-4-8-16(9-5-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23)
InChIKeyLUQXMYDFADBGHH-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.01
Rot. Bonds5

About 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 52916425) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID52916425
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)17-13(11-21)10-20(19-17)14-4-8-16(9-5-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23)
InChIKeyLUQXMYDFADBGHH-UHFFFAOYSA-N
XLogP2.01
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 52916425) is 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1.
What is the InChIKey of 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is LUQXMYDFADBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)17-13(11-21)10-20(19-17)14-4-8-16(9-5-14)25(18,22)23/h2-11H,1H3,(H2,18,22,23).
What are the key properties of 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 357.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 52916425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).