[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C18H18FN3O2S — CID 46889327

IUPAC[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21
InChIInChI=1S/C18H18FN3O2S/c19-13-7-16-18(22-10-21-16)17(8-13)25(23,24)14-4-5-15-11(6-14)2-1-3-12(15)9-20/h4-8,10,12H,1-3,9,20H2,(H,21,22)/t12-/m0/s1
InChIKeyGEGRUTUYLJXAAU-LBPRGKRZSA-N
MW359.43 g/mol
LogP2.91
Rot. Bonds3

About [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889327) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889327
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21
InChIInChI=1S/C18H18FN3O2S/c19-13-7-16-18(22-10-21-16)17(8-13)25(23,24)14-4-5-15-11(6-14)2-1-3-12(15)9-20/h4-8,10,12H,1-3,9,20H2,(H,21,22)/t12-/m0/s1
InChIKeyGEGRUTUYLJXAAU-LBPRGKRZSA-N
XLogP2.91
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylsulfonyl-2-(4-fluoro-3-phenylphenyl)-1H-benzimidazole
CID 70682528
6-ethylsulfonyl-2-(2-fluoro-5-phenylphenyl)-1H-benzimidazole
CID 70697153
2-(3-phenylpiperidin-1-yl)-6-propylsulfonyl-1H-benzimidazole
CID 71458601
6-(Ethanesulfonyl)-2-(2-fluoro[1,1'-biphenyl]-3-yl)-1H-benzimidazole
CID 70695118
6-ethylsulfonyl-2-(2-methyl-3-phenylphenyl)-1H-benzimidazole
CID 70697154
Naphthalene-2-sulfonic acid (1H-benzoimidazol-2-yl)-amide
CID 3157932
US20250115569, Example 185
CID 176509392
2-(1-((5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl)azetidin-3-yl)-1H-benzo[d]imidazole
CID 52417262
N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 75435509
4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole
CID 21099522
6-[1-(2,3-difluorophenyl)-2-methylsulfonylethenyl]-4-propan-2-ylsulfonyl-1H-benzimidazol-2-amine
CID 54146843
6-[1-(3-fluorophenyl)-2-iodoethenyl]-4-propan-2-ylsulfonyl-1H-benzimidazol-2-amine
CID 56978618

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889327) is [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21.
What is the InChIKey of [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is GEGRUTUYLJXAAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-13-7-16-18(22-10-21-16)17(8-13)25(23,24)14-4-5-15-11(6-14)2-1-3-12(15)9-20/h4-8,10,12H,1-3,9,20H2,(H,21,22)/t12-/m0/s1.
What are the key properties of [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 359.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).