1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C15H18FN3O2S — CID 6465338

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCn1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cn1
InChIInChI=1S/C15H18FN3O2S/c1-3-18-10-14(9-17-18)22(20,21)19-11(2)4-5-12-8-13(16)6-7-15(12)19/h6-11H,3-5H2,1-2H3
InChIKeyWBRIWOSEPKXMBS-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.57
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 6465338) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID6465338
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCn1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cn1
InChIInChI=1S/C15H18FN3O2S/c1-3-18-10-14(9-17-18)22(20,21)19-11(2)4-5-12-8-13(16)6-7-15(12)19/h6-11H,3-5H2,1-2H3
InChIKeyWBRIWOSEPKXMBS-UHFFFAOYSA-N
XLogP2.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
8-Fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865989
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 24906240
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454938
(4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454942
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
8-(4-Ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide
CID 71567006
N-[(4-fluorophenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-amine
CID 71567146
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 6465338) is 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is CCn1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is WBRIWOSEPKXMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-18-10-14(9-17-18)22(20,21)19-11(2)4-5-12-8-13(16)6-7-15(12)19/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 323.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 6465338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).