4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C17H17N3O4S — CID 71578724

IUPAC4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
InChIKeyHVGGEKFTJATLPQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.69
Rot. Bonds5

About 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 71578724) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID71578724
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
InChIKeyHVGGEKFTJATLPQ-UHFFFAOYSA-N
XLogP1.69
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 71578724) is 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1cccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HVGGEKFTJATLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23).
What are the key properties of 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-(3-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).