2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

C18H18ClFN2O5S — CID 3968655

IUPAC2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O5S/c1-26-15-6-5-12(21-18(23)17-13(19)3-2-4-14(17)20)11-16(15)28(24,25)22-7-9-27-10-8-22/h2-6,11H,7-10H2,1H3,(H,21,23)
InChIKeyJHXJPWWASQHYJQ-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3968655) has the molecular formula C18H18ClFN2O5S and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3968655
Molecular FormulaC18H18ClFN2O5S
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC Name2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O5S/c1-26-15-6-5-12(21-18(23)17-13(19)3-2-4-14(17)20)11-16(15)28(24,25)22-7-9-27-10-8-22/h2-6,11H,7-10H2,1H3,(H,21,23)
InChIKeyJHXJPWWASQHYJQ-UHFFFAOYSA-N
XLogP2.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1797
CID 124125214
2-Chloro-6-Fluoro-N-[4-[3-(Trifluoromethyl)phenyl]sulfonyl-3,5-Dihydro-2h-1,4-Benzoxazepin-7-Yl]benzamide
CID 92045115
2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3365317
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 4966507
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide
CID 16246545
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-(2-chloro-5-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125200
2-(2-chlorophenyl)-N-[4-[3-(3-oxomorpholin-4-yl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125228
2-(2-chloro-3-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 3968655) is 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is JHXJPWWASQHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5S/c1-26-15-6-5-12(21-18(23)17-13(19)3-2-4-14(17)20)11-16(15)28(24,25)22-7-9-27-10-8-22/h2-6,11H,7-10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 428.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3968655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).