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

C21H19FN2O4S2 — CID 18565194

IUPACN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1
InChIInChI=1S/C21H19FN2O4S2/c22-17-9-12-20(13-10-17)30(27,28)24-14-4-5-16-8-11-18(15-21(16)24)23-29(25,26)19-6-2-1-3-7-19/h1-3,6-13,15,23H,4-5,14H2
InChIKeyRQDCDGQYKMLJKE-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.77
Rot. Bonds5

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

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 18565194) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID18565194
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1
InChIInChI=1S/C21H19FN2O4S2/c22-17-9-12-20(13-10-17)30(27,28)24-14-4-5-16-8-11-18(15-21(16)24)23-29(25,26)19-6-2-1-3-7-19/h1-3,6-13,15,23H,4-5,14H2
InChIKeyRQDCDGQYKMLJKE-UHFFFAOYSA-N
XLogP3.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
10-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-10H-9-thia-10-aza-phenanthrene 9,9-dioxide
CID 15710746
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
2,6-difluoro-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565104
2,6-difluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565138
2-fluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565142
6-Fluoro-1-[(4-fluorophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933162
N-Cyclopropyl-4-(3,4-dihydro-2H-quinoline-1-sulfonyl)-benzenesulfonamide
CID 645771
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517789
3-fluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565143
N-(5-Benzyl-5,6-dihydro-phenanthridin-3-yl)-methanesulfonamide
CID 44310289
1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2367813

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 18565194) is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is RQDCDGQYKMLJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c22-17-9-12-20(13-10-17)30(27,28)24-14-4-5-16-8-11-18(15-21(16)24)23-29(25,26)19-6-2-1-3-7-19/h1-3,6-13,15,23H,4-5,14H2.
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 18565194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).