6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine

C18H20FN3O2S — CID 143248348

IUPAC6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine
SMILESCN.O=S(=O)(c1ccc2c(c1)CCCC2)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H15FN2O2S.CH5N/c18-13-8-15-17(20-10-19-15)16(9-13)23(21,22)14-6-5-11-3-1-2-4-12(11)7-14;1-2/h5-10H,1-4H2,(H,19,20);2H2,1H3
InChIKeyCQECCUZAKVFFQW-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.99
Rot. Bonds2

About 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine

6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine (PubChem CID 143248348) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine.

Molecular Properties

Compound Name6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine
PubChem CID143248348
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine
SMILESCN.O=S(=O)(c1ccc2c(c1)CCCC2)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H15FN2O2S.CH5N/c18-13-8-15-17(20-10-19-15)16(9-13)23(21,22)14-6-5-11-3-1-2-4-12(11)7-14;1-2/h5-10H,1-4H2,(H,19,20);2H2,1H3
InChIKeyCQECCUZAKVFFQW-UHFFFAOYSA-N
XLogP2.99
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine?
The IUPAC name of 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine (CID 143248348) is 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine.
What is the SMILES notation for 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine?
The canonical SMILES for 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine is CN.O=S(=O)(c1ccc2c(c1)CCCC2)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine?
The InChIKey is CQECCUZAKVFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S.CH5N/c18-13-8-15-17(20-10-19-15)16(9-13)23(21,22)14-6-5-11-3-1-2-4-12(11)7-14;1-2/h5-10H,1-4H2,(H,19,20);2H2,1H3.
What are the key properties of 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine?
6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine has a molecular weight of 361.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine is sourced from PubChem (CID 143248348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).