N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide

C14H18FN3O2S — CID 22206180

IUPACN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-21(19,20)17-14-10(2)16-18(11(14)3)9-12-7-5-6-8-13(12)15/h5-8,17H,4,9H2,1-3H3
InChIKeyNPNLCOCXLMCZOC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.45
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide (PubChem CID 22206180) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
PubChem CID22206180
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-21(19,20)17-14-10(2)16-18(11(14)3)9-12-7-5-6-8-13(12)15/h5-8,17H,4,9H2,1-3H3
InChIKeyNPNLCOCXLMCZOC-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide
CID 22201892
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17379899
2-(4-bromopyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19408238
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3,4-difluorobenzenesulfonamide
CID 22203801
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19408251
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide (CID 22206180) is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2F)c1C.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide?
The InChIKey is NPNLCOCXLMCZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-4-21(19,20)17-14-10(2)16-18(11(14)3)9-12-7-5-6-8-13(12)15/h5-8,17H,4,9H2,1-3H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide?
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 22206180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).