2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

C19H17NO2S — CID 808079

IUPAC2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17NO2S/c21-23(22,19-10-9-15-5-1-3-7-17(15)13-19)20-12-11-16-6-2-4-8-18(16)14-20/h1-10,13H,11-12,14H2
InChIKeyYKYRSCGKTATARM-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.59
Rot. Bonds2

About 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline

2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 808079) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID808079
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17NO2S/c21-23(22,19-10-9-15-5-1-3-7-17(15)13-19)20-12-11-16-6-2-4-8-18(16)14-20/h1-10,13H,11-12,14H2
InChIKeyYKYRSCGKTATARM-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone
CID 2471668
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamine
CID 516587
2-(4-bromo-3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 112770544
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methylaniline
CID 43256206
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
CID 737522
2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 16582503

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline (CID 808079) is 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc2C1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YKYRSCGKTATARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-23(22,19-10-9-15-5-1-3-7-17(15)13-19)20-12-11-16-6-2-4-8-18(16)14-20/h1-10,13H,11-12,14H2.
What are the key properties of 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline?
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 323.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 808079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).