N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide

C13H19N3O4S — CID 2059172

IUPACN-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19N3O4S/c17-13(16-8-10-20-11-9-16)14-6-7-15-21(18,19)12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,17)
InChIKeyQWNPKZGGYUCYOZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.01
Rot. Bonds5

About N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide

N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide (PubChem CID 2059172) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
PubChem CID2059172
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19N3O4S/c17-13(16-8-10-20-11-9-16)14-6-7-15-21(18,19)12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,17)
InChIKeyQWNPKZGGYUCYOZ-UHFFFAOYSA-N
XLogP0.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
N4-[2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)ethyl]morpholine-4-carboxamide
CID 2725780
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1094976
N,N-diethyl-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 2928233
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 3163710
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 9465280
N-(3-morpholinopropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
CID 2110148

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide (CID 2059172) is N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide is O=C(NCCNS(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide?
The InChIKey is QWNPKZGGYUCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(16-8-10-20-11-9-16)14-6-7-15-21(18,19)12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,17).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide?
N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 2059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).