5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide

C21H24F3NO4S — CID 86703744

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC3C(C2)C3(F)F)cc1F
InChIInChI=1S/C21H24F3NO4S/c22-18-9-19(29-10-11-1-6-16-17(7-11)21(16,23)24)14(12-2-3-12)8-15(18)20(26)25-30(27,28)13-4-5-13/h8-9,11-13,16-17H,1-7,10H2,(H,25,26)
InChIKeyAWRUPTLQWNGDPM-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.99
Rot. Bonds7

About 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide

5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide (PubChem CID 86703744) has the molecular formula C21H24F3NO4S and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide
PubChem CID86703744
Molecular FormulaC21H24F3NO4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC3C(C2)C3(F)F)cc1F
InChIInChI=1S/C21H24F3NO4S/c22-18-9-19(29-10-11-1-6-16-17(7-11)21(16,23)24)14(12-2-3-12)8-15(18)20(26)25-30(27,28)13-4-5-13/h8-9,11-13,16-17H,1-7,10H2,(H,25,26)
InChIKeyAWRUPTLQWNGDPM-UHFFFAOYSA-N
XLogP3.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide with MolForge

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Related Compounds

5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703750
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CID 118120413
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(6,6-difluoro-3-tricyclo[3.3.1.03,7]nonanyl)methoxy]-2-fluorobenzamide
CID 149258229
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(1-ethyl-4,4-difluorocyclohexyl)methoxy]-2-fluorobenzamide
CID 171344580
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118110907
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90016208
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118120580
4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 90015792
4-(1-adamantylmethoxy)-N-cyclopropylsulfonyl-5-(2,2-difluorocyclopropyl)-2-fluorobenzamide
CID 86703602
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118110701
5-cyclopropyl-N-cyclopropylsulfonyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide (CID 86703744) is 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide is O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC3C(C2)C3(F)F)cc1F.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide?
The InChIKey is AWRUPTLQWNGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO4S/c22-18-9-19(29-10-11-1-6-16-17(7-11)21(16,23)24)14(12-2-3-12)8-15(18)20(26)25-30(27,28)13-4-5-13/h8-9,11-13,16-17H,1-7,10H2,(H,25,26).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide has a molecular weight of 443.49 g/mol, XLogP of 3.99, 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-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide is sourced from PubChem (CID 86703744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).