5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide

C21H25F4NO4S — CID 90016208

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F
InChIInChI=1S/C21H25F4NO4S/c22-17-11-18(30-12-20(21(23,24)25)8-2-1-3-9-20)15(13-4-5-13)10-16(17)19(27)26-31(28,29)14-6-7-14/h10-11,13-14H,1-9,12H2,(H,26,27)
InChIKeyGAUCTMQMNSDYNT-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.82
Rot. Bonds7

About 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide (PubChem CID 90016208) has the molecular formula C21H25F4NO4S and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
PubChem CID90016208
Molecular FormulaC21H25F4NO4S
Molecular Weight463.49 g/mol
Exact Mass463.14
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F
InChIInChI=1S/C21H25F4NO4S/c22-17-11-18(30-12-20(21(23,24)25)8-2-1-3-9-20)15(13-4-5-13)10-16(17)19(27)26-31(28,29)14-6-7-14/h10-11,13-14H,1-9,12H2,(H,26,27)
InChIKeyGAUCTMQMNSDYNT-UHFFFAOYSA-N
XLogP4.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide (CID 90016208) is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide is O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
The InChIKey is GAUCTMQMNSDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4NO4S/c22-17-11-18(30-12-20(21(23,24)25)8-2-1-3-9-20)15(13-4-5-13)10-16(17)19(27)26-31(28,29)14-6-7-14/h10-11,13-14H,1-9,12H2,(H,26,27).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide is sourced from PubChem (CID 90016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).