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

C23H23FN2O6S2 — CID 43990532

IUPACN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c(OC)c1
InChIInChI=1S/C23H23FN2O6S2/c1-31-19-9-12-23(22(15-19)32-2)33(27,28)25-18-8-5-16-4-3-13-26(21(16)14-18)34(29,30)20-10-6-17(24)7-11-20/h5-12,14-15,25H,3-4,13H2,1-2H3
InChIKeyKIBYFBRLQVVOQH-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.79
Rot. Bonds7

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

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 43990532) has the molecular formula C23H23FN2O6S2 and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
PubChem CID43990532
Molecular FormulaC23H23FN2O6S2
Molecular Weight506.58 g/mol
Exact Mass506.10
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c(OC)c1
InChIInChI=1S/C23H23FN2O6S2/c1-31-19-9-12-23(22(15-19)32-2)33(27,28)25-18-8-5-16-4-3-13-26(21(16)14-18)34(29,30)20-10-6-17(24)7-11-20/h5-12,14-15,25H,3-4,13H2,1-2H3
InChIKeyKIBYFBRLQVVOQH-UHFFFAOYSA-N
XLogP3.79
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
5-fluoro-2-methoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955848
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
2,4-dimethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27441200
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 43990533
methyl 2-[[7-[(2,5-dimethoxyphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 141486276

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide (CID 43990532) is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c(OC)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is KIBYFBRLQVVOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O6S2/c1-31-19-9-12-23(22(15-19)32-2)33(27,28)25-18-8-5-16-4-3-13-26(21(16)14-18)34(29,30)20-10-6-17(24)7-11-20/h5-12,14-15,25H,3-4,13H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide?
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 506.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43990532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).