N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 866897

IUPACN-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15)
InChIKeyYWWIMIIDROAJQG-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.44
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 866897) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID866897
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15)
InChIKeyYWWIMIIDROAJQG-UHFFFAOYSA-N
XLogP2.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
3,5-dimethyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 142640380
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 866897) is N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YWWIMIIDROAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15).
What are the key properties of N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 866897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).