3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

C16H19N3O4S — CID 97428112

IUPAC3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O4S/c20-16(7-9-24(21,22)15-4-2-1-3-5-15)18-13-10-17-19(11-13)14-6-8-23-12-14/h1-5,10-11,14H,6-9,12H2,(H,18,20)/t14-/m0/s1
InChIKeyQLOCQYXPFGNCFM-AWEZNQCLSA-N
MW349.41 g/mol
LogP1.65
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (PubChem CID 97428112) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
PubChem CID97428112
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O4S/c20-16(7-9-24(21,22)15-4-2-1-3-5-15)18-13-10-17-19(11-13)14-6-8-23-12-14/h1-5,10-11,14H,6-9,12H2,(H,18,20)/t14-/m0/s1
InChIKeyQLOCQYXPFGNCFM-AWEZNQCLSA-N
XLogP1.65
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[2-(2-isoxazolidinyl)-2-oxoethyl]-1H-pyrazol-4-yl}-2-(phenylthio)acetamide
CID 42441669
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810100
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
3-(phenylthio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)propanamide
CID 71810229
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(2-thienyl)acetamide
CID 97428064
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}[p-(isopropylthio)phenyl]acetamide
CID 97428116
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 49087216
N-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)sulfonylbutanamide
CID 53614606
2-((4-fluorophenyl)thio)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)acetamide
CID 71810117
2-((4-fluorophenyl)thio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810219

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (CID 97428112) is 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The InChIKey is QLOCQYXPFGNCFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-16(7-9-24(21,22)15-4-2-1-3-5-15)18-13-10-17-19(11-13)14-6-8-23-12-14/h1-5,10-11,14H,6-9,12H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 97428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).