5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide

C14H17ClFNO4S — CID 91809353

IUPAC5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C14H17ClFNO4S/c1-22(19,20)17-14(18)10-6-11(15)13(7-12(10)16)21-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyVRPGCBJZNLEVNY-UHFFFAOYSA-N
MW349.81 g/mol
LogP2.74
Rot. Bonds5

About 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide

5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 91809353) has the molecular formula C14H17ClFNO4S and a molecular weight of 349.81 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
PubChem CID91809353
Molecular FormulaC14H17ClFNO4S
Molecular Weight349.81 g/mol
Exact Mass349.06
IUPAC Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C14H17ClFNO4S/c1-22(19,20)17-14(18)10-6-11(15)13(7-12(10)16)21-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyVRPGCBJZNLEVNY-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide (CID 91809353) is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is VRPGCBJZNLEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO4S/c1-22(19,20)17-14(18)10-6-11(15)13(7-12(10)16)21-8-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 349.81 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 91809353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).