1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline

C17H17FN2O2S — CID 110715217

IUPAC1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C17H17FN2O2S/c18-13-5-9-15(10-6-13)23(21,22)20-12-11-19(14-7-8-14)16-3-1-2-4-17(16)20/h1-6,9-10,14H,7-8,11-12H2
InChIKeyAIGQFKUZZXEXAV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.00
Rot. Bonds3

About 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline

1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline (PubChem CID 110715217) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
PubChem CID110715217
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C17H17FN2O2S/c18-13-5-9-15(10-6-13)23(21,22)20-12-11-19(14-7-8-14)16-3-1-2-4-17(16)20/h1-6,9-10,14H,7-8,11-12H2
InChIKeyAIGQFKUZZXEXAV-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline
CID 110715223
(3aR)-5-(4-fluorophenyl)sulfonyl-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
CID 6558107
9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719189
4-[[4-(4-chlorophenyl)sulfonyl-2,3-dihydroquinoxalin-1-yl]sulfonyl]benzonitrile
CID 56646494
1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline
CID 127915447
4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
CID 63777912
methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate
CID 59277714
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
4-(4-fluorophenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24511325
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
(7S,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline (CID 110715217) is 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline is O=S(=O)(c1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline?
The InChIKey is AIGQFKUZZXEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-13-5-9-15(10-6-13)23(21,22)20-12-11-19(14-7-8-14)16-3-1-2-4-17(16)20/h1-6,9-10,14H,7-8,11-12H2.
What are the key properties of 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline?
1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline has a molecular weight of 332.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 110715217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).