N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide

C18H21FN2O4S2 — CID 20963067

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21
InChIInChI=1S/C18H21FN2O4S2/c1-3-26(22,23)21-10-4-5-14-6-8-16(12-17(14)21)20-27(24,25)18-9-7-15(19)11-13(18)2/h6-9,11-12,20H,3-5,10H2,1-2H3
InChIKeyPLUXPCMFEBZWKR-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.04
Rot. Bonds5

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

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 20963067) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID20963067
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21
InChIInChI=1S/C18H21FN2O4S2/c1-3-26(22,23)21-10-4-5-14-6-8-16(12-17(14)21)20-27(24,25)18-9-7-15(19)11-13(18)2/h6-9,11-12,20H,3-5,10H2,1-2H3
InChIKeyPLUXPCMFEBZWKR-UHFFFAOYSA-N
XLogP3.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
CID 43990641
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
2,4-difluoro-N-[1-[(3-fluorophenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 141486319
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethylbenzenesulfonamide
CID 18565172
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 20963067) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PLUXPCMFEBZWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c1-3-26(22,23)21-10-4-5-14-6-8-16(12-17(14)21)20-27(24,25)18-9-7-15(19)11-13(18)2/h6-9,11-12,20H,3-5,10H2,1-2H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 412.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 20963067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).