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

C22H19ClN2O3S — CID 27557632

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H19ClN2O3S/c23-18-8-11-20(12-9-18)29(27,28)24-19-10-13-21-17(15-19)7-4-14-25(21)22(26)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,24H,4,7,14H2
InChIKeyYYSSEGGMHGXNHB-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.73
Rot. Bonds4

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

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide (PubChem CID 27557632) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
PubChem CID27557632
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H19ClN2O3S/c23-18-8-11-20(12-9-18)29(27,28)24-19-10-13-21-17(15-19)7-4-14-25(21)22(26)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,24H,4,7,14H2
InChIKeyYYSSEGGMHGXNHB-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide (CID 27557632) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide is O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide?
The InChIKey is YYSSEGGMHGXNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-18-8-11-20(12-9-18)29(27,28)24-19-10-13-21-17(15-19)7-4-14-25(21)22(26)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,24H,4,7,14H2.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.73, 4 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)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 27557632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).