N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide

C19H21ClN2O3S — CID 113143717

IUPACN-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(18-11-5-3-9-16(18)20)14-12-19(23)21-13-6-8-15-7-2-4-10-17(15)21/h2-5,7,9-11H,6,8,12-14H2,1H3
InChIKeyKABWYGAFMWHSAF-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.48
Rot. Bonds5

About N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide

N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113143717) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113143717
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(18-11-5-3-9-16(18)20)14-12-19(23)21-13-6-8-15-7-2-4-10-17(15)21/h2-5,7,9-11H,6,8,12-14H2,1H3
InChIKeyKABWYGAFMWHSAF-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 113142179
N-(2,4-difluorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146382
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113138523
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113143717) is N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is KABWYGAFMWHSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)22(18-11-5-3-9-16(18)20)14-12-19(23)21-13-6-8-15-7-2-4-10-17(15)21/h2-5,7,9-11H,6,8,12-14H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113143717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).