4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide

C18H24FNO4S — CID 86703482

IUPAC4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
InChIInChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
InChIKeyIKSUDZQUQOMVKP-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.35
Rot. Bonds6

About 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide

4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 86703482) has the molecular formula C18H24FNO4S and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
PubChem CID86703482
Molecular FormulaC18H24FNO4S
Molecular Weight369.46 g/mol
Exact Mass369.14
IUPAC Name4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
InChIInChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
InChIKeyIKSUDZQUQOMVKP-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide (CID 86703482) is 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F.
What is the InChIKey of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is IKSUDZQUQOMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21).
What are the key properties of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide?
4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 369.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 86703482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).