2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C16H17FN2O4S2 — CID 7517968

IUPAC2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21
InChIInChI=1S/C16H17FN2O4S2/c1-24(20,21)19-10-4-5-12-8-9-13(11-15(12)19)18-25(22,23)16-7-3-2-6-14(16)17/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyLTZDVVWEMQJFAP-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.34
Rot. Bonds4

About 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 7517968) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID7517968
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21
InChIInChI=1S/C16H17FN2O4S2/c1-24(20,21)19-10-4-5-12-8-9-13(11-15(12)19)18-25(22,23)16-7-3-2-6-14(16)17/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyLTZDVVWEMQJFAP-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506309
2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 174391222
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
2-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990514
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
CID 168653982
N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
CID 174406027

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 7517968) is 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21.
What is the InChIKey of 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is LTZDVVWEMQJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c1-24(20,21)19-10-4-5-12-8-9-13(11-15(12)19)18-25(22,23)16-7-3-2-6-14(16)17/h2-3,6-9,11,18H,4-5,10H2,1H3.
What are the key properties of 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 7517968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).