N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide

C22H19ClN2O3S — CID 18584172

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3S/c23-18-8-4-6-17(14-18)22(26)24-19-11-12-21-16(15-19)7-5-13-25(21)29(27,28)20-9-2-1-3-10-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,24,26)
InChIKeyJYYUHOSYAONIFP-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide (PubChem CID 18584172) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
PubChem CID18584172
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O3S/c23-18-8-4-6-17(14-18)22(26)24-19-11-12-21-16(15-19)7-5-13-25(21)29(27,28)20-9-2-1-3-10-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,24,26)
InChIKeyJYYUHOSYAONIFP-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

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
CID 16834808
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-chloro-4-nitrobenzamide
CID 16825756
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide (CID 18584172) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide is O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide?
The InChIKey is JYYUHOSYAONIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-18-8-4-6-17(14-18)22(26)24-19-11-12-21-16(15-19)7-5-13-25(21)29(27,28)20-9-2-1-3-10-20/h1-4,6,8-12,14-15H,5,7,13H2,(H,24,26).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide 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-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide is sourced from PubChem (CID 18584172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).