4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

C14H17N3O3S — CID 110731123

IUPAC4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17-16-9)8-15-21(19,20)13-6-4-12(5-7-13)11(3)18/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKeyDNBMWCMOVMWXIL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.71
Rot. Bonds5

About 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 110731123) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID110731123
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17-16-9)8-15-21(19,20)13-6-4-12(5-7-13)11(3)18/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKeyDNBMWCMOVMWXIL-UHFFFAOYSA-N
XLogP1.71
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide 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-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 110717184
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
CID 110780799
4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004285
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (CID 110731123) is 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is DNBMWCMOVMWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-14(10(2)17-16-9)8-15-21(19,20)13-6-4-12(5-7-13)11(3)18/h4-7,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).