4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C11H13FN2O4S — CID 27243385

IUPAC4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13FN2O4S/c12-9-2-1-8(11(13)15)7-10(9)19(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H2,13,15)
InChIKeyRKAYBIAJHFUQQF-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.05
Rot. Bonds3

About 4-fluoro-3-morpholin-4-ylsulfonylbenzamide

4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 27243385) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID27243385
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13FN2O4S/c12-9-2-1-8(11(13)15)7-10(9)19(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H2,13,15)
InChIKeyRKAYBIAJHFUQQF-UHFFFAOYSA-N
XLogP-0.05
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313339
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 3620795
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505
[2-(4-tert-butylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521348
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 27243385) is 4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonylbenzamide is NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RKAYBIAJHFUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c12-9-2-1-8(11(13)15)7-10(9)19(16,17)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H2,13,15).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 288.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 27243385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).