N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide

C17H17ClN2O3S — CID 71457917

IUPACN-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCS(=O)(=O)N1c2ccccc2CCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)20-15-8-3-2-5-12(15)9-10-16(20)17(21)19-14-7-4-6-13(18)11-14/h2-8,11,16H,9-10H2,1H3,(H,19,21)
InChIKeyRCDWAEAZTLYVHF-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.06
Rot. Bonds3

About N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide

N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 71457917) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID71457917
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCS(=O)(=O)N1c2ccccc2CCC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)20-15-8-3-2-5-12(15)9-10-16(20)17(21)19-14-7-4-6-13(18)11-14/h2-8,11,16H,9-10H2,1H3,(H,19,21)
InChIKeyRCDWAEAZTLYVHF-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide (CID 71457917) is N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide is CS(=O)(=O)N1c2ccccc2CCC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is RCDWAEAZTLYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-24(22,23)20-15-8-3-2-5-12(15)9-10-16(20)17(21)19-14-7-4-6-13(18)11-14/h2-8,11,16H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide?
N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 71457917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).