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

C14H19FN2O5S — CID 5143474

IUPAC2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C14H19FN2O5S/c1-21-7-4-16-14(18)12-10-11(2-3-13(12)15)23(19,20)17-5-8-22-9-6-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyTYGTVCGPELRXAT-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.22
Rot. Bonds6

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

2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 5143474) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID5143474
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C14H19FN2O5S/c1-21-7-4-16-14(18)12-10-11(2-3-13(12)15)23(19,20)17-5-8-22-9-6-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyTYGTVCGPELRXAT-UHFFFAOYSA-N
XLogP0.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide (CID 5143474) is 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide is COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TYGTVCGPELRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c1-21-7-4-16-14(18)12-10-11(2-3-13(12)15)23(19,20)17-5-8-22-9-6-17/h2-3,10H,4-9H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 346.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5143474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).