N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C19H19FN2O5S — CID 9095795

IUPACN-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C19H19FN2O5S/c1-13(23)14-3-2-4-15(11-14)21-19(24)17-12-16(5-6-18(17)20)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyADMYVNYZMRSYJZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.30
Rot. Bonds5

About N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 9095795) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID9095795
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC NameN-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C19H19FN2O5S/c1-13(23)14-3-2-4-15(11-14)21-19(24)17-12-16(5-6-18(17)20)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyADMYVNYZMRSYJZ-UHFFFAOYSA-N
XLogP2.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4129269
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853441
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 9095795) is N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ADMYVNYZMRSYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-13(23)14-3-2-4-15(11-14)21-19(24)17-12-16(5-6-18(17)20)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9095795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).