1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H24N2O4S — CID 17247836

IUPAC1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-17-10-13-23(30-2)21(15-17)25-31(28,29)20-11-12-22-19(16-20)9-6-14-26(22)24(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3
InChIKeyHNMCQOTWHVRXEH-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.40
Rot. Bonds5

About 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247836) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247836
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-17-10-13-23(30-2)21(15-17)25-31(28,29)20-11-12-22-19(16-20)9-6-14-26(22)24(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3
InChIKeyHNMCQOTWHVRXEH-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361770
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247836) is 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is HNMCQOTWHVRXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-10-13-23(30-2)21(15-17)25-31(28,29)20-11-12-22-19(16-20)9-6-14-26(22)24(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,25H,6,9,14H2,1-2H3.
What are the key properties of 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 436.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).