N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C15H19FN4O2S — CID 71869074

IUPACN-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCCc3cc(F)ccc32)cn1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-14(10-17-19)23(21,22)18-6-8-20-7-2-3-12-9-13(16)4-5-15(12)20/h4-5,9-11,18H,2-3,6-8H2,1H3
InChIKeyADKZWUXIUGCNPD-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71869074) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71869074
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCCc3cc(F)ccc32)cn1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-14(10-17-19)23(21,22)18-6-8-20-7-2-3-12-9-13(16)4-5-15(12)20/h4-5,9-11,18H,2-3,6-8H2,1H3
InChIKeyADKZWUXIUGCNPD-UHFFFAOYSA-N
XLogP1.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
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
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-[4-(3-cyclopentylpropyl)-2-fluorophenyl]-2-[(1-propylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 89939103

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 71869074) is N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCN2CCCc3cc(F)ccc32)cn1.
What is the InChIKey of N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ADKZWUXIUGCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-19-11-14(10-17-19)23(21,22)18-6-8-20-7-2-3-12-9-13(16)4-5-15(12)20/h4-5,9-11,18H,2-3,6-8H2,1H3.
What are the key properties of N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).