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

C23H21ClN2O3S — CID 43955695

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C23H21ClN2O3S/c24-21-11-5-4-9-19(21)16-30(28,29)25-20-12-13-22-18(15-20)10-6-14-26(22)23(27)17-7-2-1-3-8-17/h1-5,7-9,11-13,15,25H,6,10,14,16H2
InChIKeyCABQUDPLDUUPMN-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.87
Rot. Bonds5

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

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide (PubChem CID 43955695) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
PubChem CID43955695
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C23H21ClN2O3S/c24-21-11-5-4-9-19(21)16-30(28,29)25-20-12-13-22-18(15-20)10-6-14-26(22)23(27)17-7-2-1-3-8-17/h1-5,7-9,11-13,15,25H,6,10,14,16H2
InChIKeyCABQUDPLDUUPMN-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 42064977
[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 110623260
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
CID 43955817
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 43990206
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)-1-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide (CID 43955695) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide is O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide?
The InChIKey is CABQUDPLDUUPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c24-21-11-5-4-9-19(21)16-30(28,29)25-20-12-13-22-18(15-20)10-6-14-26(22)23(27)17-7-2-1-3-8-17/h1-5,7-9,11-13,15,25H,6,10,14,16H2.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide has a molecular weight of 440.95 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 43955695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).