2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C22H19F3N2O4S2 — CID 141486319

IUPAC2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)Cc1cccc(F)c1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C22H19F3N2O4S2/c23-17-5-1-3-15(11-17)14-32(28,29)27-10-2-4-16-6-8-19(13-21(16)27)26-33(30,31)22-9-7-18(24)12-20(22)25/h1,3,5-9,11-13,26H,2,4,10,14H2
InChIKeyQCSNQCPUSXFTHL-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.19
Rot. Bonds6

About 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 141486319) has the molecular formula C22H19F3N2O4S2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID141486319
Molecular FormulaC22H19F3N2O4S2
Molecular Weight496.53 g/mol
Exact Mass496.07
IUPAC Name2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)Cc1cccc(F)c1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C22H19F3N2O4S2/c23-17-5-1-3-15(11-17)14-32(28,29)27-10-2-4-16-6-8-19(13-21(16)27)26-33(30,31)22-9-7-18(24)12-20(22)25/h1,3,5-9,11-13,26H,2,4,10,14H2
InChIKeyQCSNQCPUSXFTHL-UHFFFAOYSA-N
XLogP4.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
[7-[(2,4-difluorophenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl benzoate
CID 175772398
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 141486319) is 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)Cc1cccc(F)c1)CCC2)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is QCSNQCPUSXFTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S2/c23-17-5-1-3-15(11-17)14-32(28,29)27-10-2-4-16-6-8-19(13-21(16)27)26-33(30,31)22-9-7-18(24)12-20(22)25/h1,3,5-9,11-13,26H,2,4,10,14H2.
What are the key properties of 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 496.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 141486319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).