(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

C16H15ClFNO2S — CID 8500097

IUPAC(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2S/c1-11-6-7-12-4-2-3-5-15(12)19(11)22(20,21)16-9-8-13(17)10-14(16)18/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1
InChIKeyWJWIGHXQDCIDDG-NSHDSACASA-N
MW339.82 g/mol
LogP4.01
Rot. Bonds2

About (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 8500097) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID8500097
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2S/c1-11-6-7-12-4-2-3-5-15(12)19(11)22(20,21)16-9-8-13(17)10-14(16)18/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1
InChIKeyWJWIGHXQDCIDDG-NSHDSACASA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94635879
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 114843838
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 17374314
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
1-(5-chlorothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 19682833

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 8500097) is (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is WJWIGHXQDCIDDG-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c1-11-6-7-12-4-2-3-5-15(12)19(11)22(20,21)16-9-8-13(17)10-14(16)18/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 339.82 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 8500097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).