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

C16H18N2O4S2 — CID 31773246

IUPAC3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18N2O4S2/c1-12-9-10-13-5-2-3-8-16(13)18(12)24(21,22)15-7-4-6-14(11-15)23(17,19)20/h2-8,11-12H,9-10H2,1H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyKYTCOSVEWQBGIW-LBPRGKRZSA-N
MW366.46 g/mol
LogP1.86
Rot. Bonds3

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

3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide (PubChem CID 31773246) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
PubChem CID31773246
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18N2O4S2/c1-12-9-10-13-5-2-3-8-16(13)18(12)24(21,22)15-7-4-6-14(11-15)23(17,19)20/h2-8,11-12H,9-10H2,1H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyKYTCOSVEWQBGIW-LBPRGKRZSA-N
XLogP1.86
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
CID 71850838
(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
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 3786582
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
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
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41074519

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide?
The IUPAC name of 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide (CID 31773246) is 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide?
The canonical SMILES for 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide?
The InChIKey is KYTCOSVEWQBGIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-9-10-13-5-2-3-8-16(13)18(12)24(21,22)15-7-4-6-14(11-15)23(17,19)20/h2-8,11-12H,9-10H2,1H3,(H2,17,19,20)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide?
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide is sourced from PubChem (CID 31773246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).