4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide

C16H19ClFNO4S — CID 91809358

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3CCC2C3)cc1F
InChIInChI=1S/C16H19ClFNO4S/c1-24(21,22)19-16(20)12-6-13(17)15(7-14(12)18)23-8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3,(H,19,20)
InChIKeyCDOTYXYWRXPXRN-UHFFFAOYSA-N
MW375.85 g/mol
LogP2.98
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide

4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 91809358) has the molecular formula C16H19ClFNO4S and a molecular weight of 375.85 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
PubChem CID91809358
Molecular FormulaC16H19ClFNO4S
Molecular Weight375.85 g/mol
Exact Mass375.07
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3CCC2C3)cc1F
InChIInChI=1S/C16H19ClFNO4S/c1-24(21,22)19-16(20)12-6-13(17)15(7-14(12)18)23-8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3,(H,19,20)
InChIKeyCDOTYXYWRXPXRN-UHFFFAOYSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide
CID 123932799
4-(2-bicyclo[2.2.1]heptanyloxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 123723079
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-(2,2-difluorocyclopropyl)-2-fluoro-N-methylsulfonylbenzamide
CID 123438827
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-chloro-2-fluoro-N-(methylsulfamoyl)benzamide
CID 130457847
4-(1-adamantylmethoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 91809327
5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide
CID 123175382
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-(spiro[3.5]nonan-7-ylmethoxy)benzamide
CID 86702851
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide
CID 167488669
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
N-(azetidin-1-ylsulfonimidoyl)-5-cyclopropyl-2-fluoro-4-(3-tricyclo[5.3.1.04,9]undecanylmethoxy)benzamide
CID 166668533

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide (CID 91809358) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CC3CCC2C3)cc1F.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is CDOTYXYWRXPXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO4S/c1-24(21,22)19-16(20)12-6-13(17)15(7-14(12)18)23-8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 375.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 91809358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).