N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide

C24H24N2O4S — CID 175256047

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-17-10-12-21(30-2)16-23(17)31(28,29)25-20-11-13-22-19(15-20)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
InChIKeyRNTVOTILSNDQMK-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.40
Rot. Bonds5

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide (PubChem CID 175256047) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
PubChem CID175256047
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-17-10-12-21(30-2)16-23(17)31(28,29)25-20-11-13-22-19(15-20)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
InChIKeyRNTVOTILSNDQMK-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
5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 175255812
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 42064977
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30374011
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
CID 171347084

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide (CID 175256047) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide is COc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide?
The InChIKey is RNTVOTILSNDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-10-12-21(30-2)16-23(17)31(28,29)25-20-11-13-22-19(15-20)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 N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide 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 N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 175256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).