3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C18H18N4O3S — CID 90588145

IUPAC3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H18N4O3S/c1-14(23)16-3-2-4-17(13-16)26(24,25)20-10-12-22-11-7-18(21-22)15-5-8-19-9-6-15/h2-9,11,13,20H,10,12H2,1H3
InChIKeyPKAOEYBLABGEKG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.13
Rot. Bonds7

About 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90588145) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90588145
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H18N4O3S/c1-14(23)16-3-2-4-17(13-16)26(24,25)20-10-12-22-11-7-18(21-22)15-5-8-19-9-6-15/h2-9,11,13,20H,10,12H2,1H3
InChIKeyPKAOEYBLABGEKG-UHFFFAOYSA-N
XLogP2.13
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
4-propan-2-yl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588149
4-nitro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588155
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588184
3-acetyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034025
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 90588145) is 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is PKAOEYBLABGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-14(23)16-3-2-4-17(13-16)26(24,25)20-10-12-22-11-7-18(21-22)15-5-8-19-9-6-15/h2-9,11,13,20H,10,12H2,1H3.
What are the key properties of 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90588145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).