6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole

C18H17FN2O2S — CID 143598227

IUPAC6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole
SMILESC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21
InChIInChI=1S/C18H17FN2O2S/c1-11-3-2-4-12-7-14(5-6-15(11)12)24(22,23)17-9-13(19)8-16-18(17)21-10-20-16/h5-11H,2-4H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyUOFFLQGUSHOBML-LLVKDONJSA-N
MW344.41 g/mol
LogP3.97
Rot. Bonds2

About 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole

6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole (PubChem CID 143598227) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole
PubChem CID143598227
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole
SMILESC[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21
InChIInChI=1S/C18H17FN2O2S/c1-11-3-2-4-12-7-14(5-6-15(11)12)24(22,23)17-9-13(19)8-16-18(17)21-10-20-16/h5-11H,2-4H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyUOFFLQGUSHOBML-LLVKDONJSA-N
XLogP3.97
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole (CID 143598227) is 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole is C[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4[nH]cnc34)ccc21.
What is the InChIKey of 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole?
The InChIKey is UOFFLQGUSHOBML-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-11-3-2-4-12-7-14(5-6-15(11)12)24(22,23)17-9-13(19)8-16-18(17)21-10-20-16/h5-11H,2-4H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole?
6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole is sourced from PubChem (CID 143598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).