3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

C15H21F2N3O4S — CID 9465280

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN1CCOCC1
InChIInChI=1S/C15H21F2N3O4S/c16-13-2-1-12(11-14(13)17)25(22,23)19-4-3-15(21)18-5-6-20-7-9-24-10-8-20/h1-2,11,19H,3-10H2,(H,18,21)
InChIKeyCGWUXJWXZTZWRD-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.08
Rot. Bonds8

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 9465280) has the molecular formula C15H21F2N3O4S and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID9465280
Molecular FormulaC15H21F2N3O4S
Molecular Weight377.41 g/mol
Exact Mass377.12
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN1CCOCC1
InChIInChI=1S/C15H21F2N3O4S/c16-13-2-1-12(11-14(13)17)25(22,23)19-4-3-15(21)18-5-6-20-7-9-24-10-8-20/h1-2,11,19H,3-10H2,(H,18,21)
InChIKeyCGWUXJWXZTZWRD-UHFFFAOYSA-N
XLogP0.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
N-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 2977215
ethyl 4-[N-(phenylsulfonyl)-beta-alanyl]-1-piperazinecarboxylate
CID 2977126
N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3308299
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4341568
2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 4878801
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
N1-((3-((4-fluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16807541
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16808159
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(2-hydroxyethyl)oxalamide
CID 18561589
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
N-Ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2989778

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (CID 9465280) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCN1CCOCC1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CGWUXJWXZTZWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O4S/c16-13-2-1-12(11-14(13)17)25(22,23)19-4-3-15(21)18-5-6-20-7-9-24-10-8-20/h1-2,11,19H,3-10H2,(H,18,21).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 377.41 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 9465280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).