N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide

C17H23N3O4S — CID 86266682

IUPACN-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCCC(O)C1CCOCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N3O4S/c21-17(14-7-12-24-13-8-14)6-10-19-25(22,23)16-4-2-15(3-5-16)20-11-1-9-18-20/h1-5,9,11,14,17,19,21H,6-8,10,12-13H2
InChIKeyQGNDGKORTQTQFI-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.33
Rot. Bonds7

About N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 86266682) has the molecular formula C17H23N3O4S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID86266682
Molecular FormulaC17H23N3O4S
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC NameN-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCCC(O)C1CCOCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N3O4S/c21-17(14-7-12-24-13-8-14)6-10-19-25(22,23)16-4-2-15(3-5-16)20-11-1-9-18-20/h1-5,9,11,14,17,19,21H,6-8,10,12-13H2
InChIKeyQGNDGKORTQTQFI-UHFFFAOYSA-N
XLogP1.33
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide 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

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 86266685
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 99996999
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
CID 99997051
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
CID 99996993
N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 126854033
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122290051
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100691082

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 86266682) is N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCCC(O)C1CCOCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is QGNDGKORTQTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-17(14-7-12-24-13-8-14)6-10-19-25(22,23)16-4-2-15(3-5-16)20-11-1-9-18-20/h1-5,9,11,14,17,19,21H,6-8,10,12-13H2.
What are the key properties of N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 86266682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).