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

C12H14FN3O2S — CID 79049840

IUPACN-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C12H14FN3O2S/c1-7-4-10(13)6-11(5-7)16-19(17,18)12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyZONLBGPHKZYTMY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.27
Rot. Bonds3

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

N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 79049840) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID79049840
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C12H14FN3O2S/c1-7-4-10(13)6-11(5-7)16-19(17,18)12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyZONLBGPHKZYTMY-UHFFFAOYSA-N
XLogP2.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
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-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025
3,5-dimethyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 142640380
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
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-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 79049840) is N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZONLBGPHKZYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-7-4-10(13)6-11(5-7)16-19(17,18)12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15).
What are the key properties of N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79049840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).