N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

C13H18ClN3O2S — CID 6602881

IUPACN-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-4-11-6-5-7-12(8-11)16-19(17,18)13-9(2)14-15-10(13)3;/h5-8,16H,4H2,1-3H3,(H,14,15);1H
InChIKeyUYZVBOLQFYFDLI-UHFFFAOYSA-N
MW315.83 g/mol
LogP2.81
Rot. Bonds4

About N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 6602881) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID6602881
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC NameN-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-4-11-6-5-7-12(8-11)16-19(17,18)13-9(2)14-15-10(13)3;/h5-8,16H,4H2,1-3H3,(H,14,15);1H
InChIKeyUYZVBOLQFYFDLI-UHFFFAOYSA-N
XLogP2.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide
CID 137523337
3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866894
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indoline hydrochloride
CID 6602882
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3240936
N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
CID 135121350
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
5-Phenyl-1H-pyrazole-3-sulfonyl chloride
CID 99110122
N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3636535
N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3778663

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (CID 6602881) is N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is CCc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.Cl.
What is the InChIKey of N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is UYZVBOLQFYFDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c1-4-11-6-5-7-12(8-11)16-19(17,18)13-9(2)14-15-10(13)3;/h5-8,16H,4H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 6602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).