3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide

C14H18FN3O3S — CID 136561836

IUPAC3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCOc1cn(C)nc1C(C)NS(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3O3S/c1-9-5-11(15)7-12(6-9)22(19,20)17-10(2)14-13(21-4)8-18(3)16-14/h5-8,10,17H,1-4H3
InChIKeyFEKMVXVKQIRKEC-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.92
Rot. Bonds5

About 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide

3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 136561836) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID136561836
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC Name3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCOc1cn(C)nc1C(C)NS(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3O3S/c1-9-5-11(15)7-12(6-9)22(19,20)17-10(2)14-13(21-4)8-18(3)16-14/h5-8,10,17H,1-4H3
InChIKeyFEKMVXVKQIRKEC-UHFFFAOYSA-N
XLogP1.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
3-tert-butyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methoxybenzenesulfonamide
CID 46979398
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 24768973
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
CID 119983418
trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 167789498
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 100674244
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 126792912

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide (CID 136561836) is 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide is COc1cn(C)nc1C(C)NS(=O)(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is FEKMVXVKQIRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-9-5-11(15)7-12(6-9)22(19,20)17-10(2)14-13(21-4)8-18(3)16-14/h5-8,10,17H,1-4H3.
What are the key properties of 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide?
3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 136561836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).