N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C13H16FN3O5S — CID 9295127

IUPACN-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C13H16FN3O5S/c14-11-2-1-9(7-10(11)13(19)16-8-12(15)18)23(20,21)17-3-5-22-6-4-17/h1-2,7H,3-6,8H2,(H2,15,18)(H,16,19)
InChIKeyHEVXWSCWRLYTHA-UHFFFAOYSA-N
MW345.35 g/mol
LogP-0.94
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 9295127) has the molecular formula C13H16FN3O5S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID9295127
Molecular FormulaC13H16FN3O5S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C13H16FN3O5S/c14-11-2-1-9(7-10(11)13(19)16-8-12(15)18)23(20,21)17-3-5-22-6-4-17/h1-2,7H,3-6,8H2,(H2,15,18)(H,16,19)
InChIKeyHEVXWSCWRLYTHA-UHFFFAOYSA-N
XLogP-0.94
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55796989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 9295127) is N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is NC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HEVXWSCWRLYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O5S/c14-11-2-1-9(7-10(11)13(19)16-8-12(15)18)23(20,21)17-3-5-22-6-4-17/h1-2,7H,3-6,8H2,(H2,15,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 345.35 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9295127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).