N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide

C24H24N2O5S — CID 27444717

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O5S/c1-30-22-13-11-20(16-23(22)31-2)32(28,29)25-19-10-12-21-18(15-19)9-6-14-26(21)24(27)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3
InChIKeyBQSLONDGEVSXLI-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.10
Rot. Bonds6

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 27444717) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID27444717
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O5S/c1-30-22-13-11-20(16-23(22)31-2)32(28,29)25-19-10-12-21-18(15-19)9-6-14-26(21)24(27)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3
InChIKeyBQSLONDGEVSXLI-UHFFFAOYSA-N
XLogP4.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide (CID 27444717) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is BQSLONDGEVSXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-30-22-13-11-20(16-23(22)31-2)32(28,29)25-19-10-12-21-18(15-19)9-6-14-26(21)24(27)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 452.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 27444717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).