2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

C18H19FN2O4S — CID 2599202

IUPAC2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c1-13-4-2-3-5-17(13)20-18(22)15-12-14(6-7-16(15)19)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyOXCWVYPURDOXBU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds4

About 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2599202) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2599202
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H19FN2O4S/c1-13-4-2-3-5-17(13)20-18(22)15-12-14(6-7-16(15)19)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyOXCWVYPURDOXBU-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 2599202) is 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OXCWVYPURDOXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13-4-2-3-5-17(13)20-18(22)15-12-14(6-7-16(15)19)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2599202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).