(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone

C17H16ClNO3S — CID 86929717

IUPAC(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO3S/c1-23(21,22)16-7-3-2-6-14(16)17(20)19-10-4-5-12-11-13(18)8-9-15(12)19/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyMFMCXBXVZYDTDB-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.34
Rot. Bonds2

About (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone

(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone (PubChem CID 86929717) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
PubChem CID86929717
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO3S/c1-23(21,22)16-7-3-2-6-14(16)17(20)19-10-4-5-12-11-13(18)8-9-15(12)19/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyMFMCXBXVZYDTDB-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone (CID 86929717) is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccccc1C(=O)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone?
The InChIKey is MFMCXBXVZYDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-23(21,22)16-7-3-2-6-14(16)17(20)19-10-4-5-12-11-13(18)8-9-15(12)19/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone?
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone has a molecular weight of 349.84 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 86929717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).