N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide

C23H22N2O3S — CID 7517742

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H22N2O3S/c1-17-8-5-6-12-21(17)23(26)24-19-14-13-18-9-7-15-25(22(18)16-19)29(27,28)20-10-3-2-4-11-20/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,24,26)
InChIKeyJNDRXGXITAUKRL-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide (PubChem CID 7517742) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
PubChem CID7517742
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H22N2O3S/c1-17-8-5-6-12-21(17)23(26)24-19-14-13-18-9-7-15-25(22(18)16-19)29(27,28)20-10-3-2-4-11-20/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,24,26)
InChIKeyJNDRXGXITAUKRL-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
CID 18565104
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-chloro-2,2-dimethylpropanamide
CID 7517769
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chloro-5-nitrobenzamide
CID 16825796
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565110
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide
CID 18565115
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-chloro-2-nitrobenzamide
CID 16825795
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzamide
CID 16835287
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
CID 16834808
N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 43990420
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide (CID 7517742) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide?
The InChIKey is JNDRXGXITAUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-17-8-5-6-12-21(17)23(26)24-19-14-13-18-9-7-15-25(22(18)16-19)29(27,28)20-10-3-2-4-11-20/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,24,26).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 4.39, 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-7-yl]-2-methylbenzamide is sourced from PubChem (CID 7517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).