1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

C19H21F2NO2S — CID 23634519

IUPAC1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCc2c1ccc(S(=O)(=O)c1cccc(F)c1)c2F
InChIInChI=1S/C19H21F2NO2S/c1-22(2)12-13-5-3-8-17-16(13)9-10-18(19(17)21)25(23,24)15-7-4-6-14(20)11-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3
InChIKeyWWZDVFJWWZYZKQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.78
Rot. Bonds4

About 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (PubChem CID 23634519) has the molecular formula C19H21F2NO2S and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
PubChem CID23634519
Molecular FormulaC19H21F2NO2S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCc2c1ccc(S(=O)(=O)c1cccc(F)c1)c2F
InChIInChI=1S/C19H21F2NO2S/c1-22(2)12-13-5-3-8-17-16(13)9-10-18(19(17)21)25(23,24)15-7-4-6-14(20)11-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3
InChIKeyWWZDVFJWWZYZKQ-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Landipirdine
CID 46220503
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 11515192
N-(6-benzenesulfonyl-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-guanidine
CID 11595360
(R)-N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-methanesulfonamide
CID 11639865
N-[[(1R)-6-(benzenesulfonyl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 11682024
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46889350
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 46889351
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 46889856
[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889890
[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889893
(R)-1-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-3-methyl-urea
CID 46890157
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46890190

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (CID 23634519) is 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCc2c1ccc(S(=O)(=O)c1cccc(F)c1)c2F.
What is the InChIKey of 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The InChIKey is WWZDVFJWWZYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2S/c1-22(2)12-13-5-3-8-17-16(13)9-10-18(19(17)21)25(23,24)15-7-4-6-14(20)11-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3.
What are the key properties of 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine has a molecular weight of 365.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).