1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine

C18H21FN2O4S2 — CID 46890266

IUPAC1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C18H21FN2O4S2/c1-20-27(24,25)21-12-14-5-2-4-13-10-17(8-9-18(13)14)26(22,23)16-7-3-6-15(19)11-16/h3,6-11,14,20-21H,2,4-5,12H2,1H3/t14-/m0/s1
InChIKeyVFKXXXMVYWTIPM-AWEZNQCLSA-N
MW412.51 g/mol
LogP2.13
Rot. Bonds6

About 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine

1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine (PubChem CID 46890266) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine
PubChem CID46890266
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC Name1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C18H21FN2O4S2/c1-20-27(24,25)21-12-14-5-2-4-13-10-17(8-9-18(13)14)26(22,23)16-7-3-6-15(19)11-16/h3,6-11,14,20-21H,2,4-5,12H2,1H3/t14-/m0/s1
InChIKeyVFKXXXMVYWTIPM-AWEZNQCLSA-N
XLogP2.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N'-[[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]ethanimidamide
CID 11688736
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-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine?
The IUPAC name of 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine (CID 46890266) is 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine.
What is the SMILES notation for 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine?
The canonical SMILES for 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine is CNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine?
The InChIKey is VFKXXXMVYWTIPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c1-20-27(24,25)21-12-14-5-2-4-13-10-17(8-9-18(13)14)26(22,23)16-7-3-6-15(19)11-16/h3,6-11,14,20-21H,2,4-5,12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine?
1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine has a molecular weight of 412.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-(methylsulfamoyl)methanamine is sourced from PubChem (CID 46890266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).