4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol

C16H17NO3S — CID 43135503

IUPAC4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C16H17NO3S/c1-12-6-7-13-4-2-3-5-16(13)17(12)21(19,20)15-10-8-14(18)9-11-15/h2-5,8-12,18H,6-7H2,1H3
InChIKeyGYXGYVATPNOGIQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.92
Rot. Bonds2

About 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol (PubChem CID 43135503) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
PubChem CID43135503
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C16H17NO3S/c1-12-6-7-13-4-2-3-5-16(13)17(12)21(19,20)15-10-8-14(18)9-11-15/h2-5,8-12,18H,6-7H2,1H3
InChIKeyGYXGYVATPNOGIQ-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]propanoic acid
CID 8902779
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol?
The IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol (CID 43135503) is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol is CC1CCc2ccccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol?
The InChIKey is GYXGYVATPNOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-6-7-13-4-2-3-5-16(13)17(12)21(19,20)15-10-8-14(18)9-11-15/h2-5,8-12,18H,6-7H2,1H3.
What are the key properties of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol?
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol has a molecular weight of 303.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol is sourced from PubChem (CID 43135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).