5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide

C17H22ClFN2O5S — CID 175616364

IUPAC5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)N1CCCOC1)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C17H22ClFN2O5S/c18-14-8-13(15(19)9-16(14)26-10-12-4-1-2-5-12)17(22)20-27(23,24)21-6-3-7-25-11-21/h8-9,12H,1-7,10-11H2,(H,20,22)
InChIKeyAHWZJRFUNABHRE-UHFFFAOYSA-N
MW420.89 g/mol
LogP2.70
Rot. Bonds6

About 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide

5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide (PubChem CID 175616364) has the molecular formula C17H22ClFN2O5S and a molecular weight of 420.89 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide
PubChem CID175616364
Molecular FormulaC17H22ClFN2O5S
Molecular Weight420.89 g/mol
Exact Mass420.09
IUPAC Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)N1CCCOC1)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C17H22ClFN2O5S/c18-14-8-13(15(19)9-16(14)26-10-12-4-1-2-5-12)17(22)20-27(23,24)21-6-3-7-25-11-21/h8-9,12H,1-7,10-11H2,(H,20,22)
InChIKeyAHWZJRFUNABHRE-UHFFFAOYSA-N
XLogP2.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide?
The IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide (CID 175616364) is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide.
What is the SMILES notation for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide?
The canonical SMILES for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide is O=C(NS(=O)(=O)N1CCCOC1)c1cc(Cl)c(OCC2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide?
The InChIKey is AHWZJRFUNABHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O5S/c18-14-8-13(15(19)9-16(14)26-10-12-4-1-2-5-12)17(22)20-27(23,24)21-6-3-7-25-11-21/h8-9,12H,1-7,10-11H2,(H,20,22).
What are the key properties of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide?
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide has a molecular weight of 420.89 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide is sourced from PubChem (CID 175616364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).