4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide

C16H16N4O3S — CID 67683899

IUPAC4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccncc3)n[nH]c2CCO)cc1
InChIInChI=1S/C16H16N4O3S/c17-24(22,23)13-3-1-11(2-4-13)15-14(7-10-21)19-20-16(15)12-5-8-18-9-6-12/h1-6,8-9,21H,7,10H2,(H,19,20)(H2,17,22,23)
InChIKeyBZPDTBJUSBJMNG-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.32
Rot. Bonds5

About 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide

4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide (PubChem CID 67683899) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
PubChem CID67683899
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccncc3)n[nH]c2CCO)cc1
InChIInChI=1S/C16H16N4O3S/c17-24(22,23)13-3-1-11(2-4-13)15-14(7-10-21)19-20-16(15)12-5-8-18-9-6-12/h1-6,8-9,21H,7,10H2,(H,19,20)(H2,17,22,23)
InChIKeyBZPDTBJUSBJMNG-UHFFFAOYSA-N
XLogP1.32
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide (CID 67683899) is 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccncc3)n[nH]c2CCO)cc1.
What is the InChIKey of 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide?
The InChIKey is BZPDTBJUSBJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c17-24(22,23)13-3-1-11(2-4-13)15-14(7-10-21)19-20-16(15)12-5-8-18-9-6-12/h1-6,8-9,21H,7,10H2,(H,19,20)(H2,17,22,23).
What are the key properties of 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide?
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67683899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).