N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C14H17N3O3S — CID 8822254

IUPACN-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)21(19,20)16-13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3
InChIKeyIPNLRAHKTSWQMH-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.04
Rot. Bonds4

About N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8822254) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8822254
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)21(19,20)16-13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3
InChIKeyIPNLRAHKTSWQMH-UHFFFAOYSA-N
XLogP2.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
4-[3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]benzamide
CID 141199028
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
1,3,5-trimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 8823656
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8822254) is N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is IPNLRAHKTSWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)21(19,20)16-13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3.
What are the key properties of N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8822254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).