N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide

C26H26N2O2S — CID 59041096

IUPACN-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C=C[C@H]2N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S/c1-19-12-15-22(16-13-19)31(29,30)27-26-23-10-4-2-7-20(23)14-17-25(26)28-18-6-9-21-8-3-5-11-24(21)28/h2-5,7-8,10-17,25-27H,6,9,18H2,1H3/t25-,26-/m1/s1
InChIKeySEODCRTWVPVWAX-CLJLJLNGSA-N
MW430.57 g/mol
LogP4.86
Rot. Bonds4

About N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide

N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide (PubChem CID 59041096) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
PubChem CID59041096
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC NameN-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C=C[C@H]2N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S/c1-19-12-15-22(16-13-19)31(29,30)27-26-23-10-4-2-7-20(23)14-17-25(26)28-18-6-9-21-8-3-5-11-24(21)28/h2-5,7-8,10-17,25-27H,6,9,18H2,1H3/t25-,26-/m1/s1
InChIKeySEODCRTWVPVWAX-CLJLJLNGSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 134954277
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2330130
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
(3aR,9aS)-1-cyclohexylidene-4-(4-methylphenyl)sulfonyl-9,9a-dihydro-3aH-cyclopenta[b]quinoline
CID 164670736
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 1167006
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
4-chloro-N-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzenesulfonamide
CID 20715221
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 16806022

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide (CID 59041096) is N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C=C[C@H]2N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is SEODCRTWVPVWAX-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-19-12-15-22(16-13-19)31(29,30)27-26-23-10-4-2-7-20(23)14-17-25(26)28-18-6-9-21-8-3-5-11-24(21)28/h2-5,7-8,10-17,25-27H,6,9,18H2,1H3/t25-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 59041096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).