3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide

C15H16N4O2S2 — CID 8002125

IUPAC3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2)cs1
InChIInChI=1S/C15H16N4O2S2/c1-9-15(10(2)18-17-9)23(20,21)19-13-6-4-5-12(7-13)14-8-22-11(3)16-14/h4-8,19H,1-3H3,(H,17,18)
InChIKeyQWRPLRVDPVHKGQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds4

About 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 8002125) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID8002125
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2)cs1
InChIInChI=1S/C15H16N4O2S2/c1-9-15(10(2)18-17-9)23(20,21)19-13-6-4-5-12(7-13)14-8-22-11(3)16-14/h4-8,19H,1-3H3,(H,17,18)
InChIKeyQWRPLRVDPVHKGQ-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide 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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22109313
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide (CID 8002125) is 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2)cs1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QWRPLRVDPVHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-9-15(10(2)18-17-9)23(20,21)19-13-6-4-5-12(7-13)14-8-22-11(3)16-14/h4-8,19H,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 8002125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).