N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

C18H18FN3O2S — CID 7028073

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-13-18(14(2)22(21-13)16-6-4-3-5-7-16)12-20-25(23,24)17-10-8-15(19)9-11-17/h3-11,20H,12H2,1-2H3
InChIKeyWNENLFQIYIUTFX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.11
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 7028073) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID7028073
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-13-18(14(2)22(21-13)16-6-4-3-5-7-16)12-20-25(23,24)17-10-8-15(19)9-11-17/h3-11,20H,12H2,1-2H3
InChIKeyWNENLFQIYIUTFX-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 9191231
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 17398702
2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191234
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578933
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (CID 7028073) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is WNENLFQIYIUTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-13-18(14(2)22(21-13)16-6-4-3-5-7-16)12-20-25(23,24)17-10-8-15(19)9-11-17/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 7028073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).