3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C20H17FN2O3S2 — CID 7517667

IUPAC3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C20H17FN2O3S2/c21-15-5-1-6-17(12-15)28(25,26)22-16-9-8-14-4-2-10-23(18(14)13-16)20(24)19-7-3-11-27-19/h1,3,5-9,11-13,22H,2,4,10H2
InChIKeyCBYVVBSCNLECGC-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.28
Rot. Bonds4

About 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 7517667) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID7517667
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC Name3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C20H17FN2O3S2/c21-15-5-1-6-17(12-15)28(25,26)22-16-9-8-14-4-2-10-23(18(14)13-16)20(24)19-7-3-11-27-19/h1,3,5-9,11-13,22H,2,4,10H2
InChIKeyCBYVVBSCNLECGC-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 7517667) is 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21.
What is the InChIKey of 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is CBYVVBSCNLECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c21-15-5-1-6-17(12-15)28(25,26)22-16-9-8-14-4-2-10-23(18(14)13-16)20(24)19-7-3-11-27-19/h1,3,5-9,11-13,22H,2,4,10H2.
What are the key properties of 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 7517667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).