4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C16H19N3O4S — CID 71810301

IUPAC4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(20)13-2-4-16(5-3-13)24(21,22)18-14-10-17-19(11-14)15-6-8-23-9-7-15/h2-5,10-11,15,18H,6-9H2,1H3
InChIKeyUOFNQUIADVBTPV-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.24
Rot. Bonds5

About 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810301) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810301
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(20)13-2-4-16(5-3-13)24(21,22)18-14-10-17-19(11-14)15-6-8-23-9-7-15/h2-5,10-11,15,18H,6-9H2,1H3
InChIKeyUOFNQUIADVBTPV-UHFFFAOYSA-N
XLogP2.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
2-fluoro-5-(N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)sulfamoyl)benzoic acid
CID 71810317
4-(pyrrolidin-1-ylsulfonyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)benzamide
CID 71810103
4-oxo-4-phenyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810143
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
2,4,6-trimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810290
methyl 4-(N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)sulfamoyl)benzoate
CID 72719678
4-(N,N-dimethylsulfamoyl)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)benzamide
CID 76149521
2-((difluoromethyl)sulfonyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzamide
CID 90597783
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 90597879
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methylpyrazol-4-yl)benzamide
CID 47028116

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810301) is 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is UOFNQUIADVBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12(20)13-2-4-16(5-3-13)24(21,22)18-14-10-17-19(11-14)15-6-8-23-9-7-15/h2-5,10-11,15,18H,6-9H2,1H3.
What are the key properties of 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).