N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide

C13H17N3O6S — CID 887128

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O6S/c1-23(20,21)15(10-13(17)14-5-7-22-8-6-14)11-3-2-4-12(9-11)16(18)19/h2-4,9H,5-8,10H2,1H3
InChIKeyWSMWZIROXCFKFK-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.22
Rot. Bonds5

About N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide

N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide (PubChem CID 887128) has the molecular formula C13H17N3O6S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide
PubChem CID887128
Molecular FormulaC13H17N3O6S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O6S/c1-23(20,21)15(10-13(17)14-5-7-22-8-6-14)11-3-2-4-12(9-11)16(18)19/h2-4,9H,5-8,10H2,1H3
InChIKeyWSMWZIROXCFKFK-UHFFFAOYSA-N
XLogP0.22
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
2-[N-(dimethylsulfamoyl)anilino]-1-morpholin-4-ylethanone
CID 800437
4-[5-(4-Methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
Cambridge id 7165229
CID 2928865
N-(2-methyl-5-nitrophenyl)-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 1307382
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 1310913
2-(N-methylsulfonyl-3-nitroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928771
N-(3-Nitro-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 1106223
2-[(methylsulfonyl)phenylamino]-N-(3-nitrophenyl)acetamide
CID 1311142
2-Ethoxy-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2947673

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide (CID 887128) is N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide?
The InChIKey is WSMWZIROXCFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6S/c1-23(20,21)15(10-13(17)14-5-7-22-8-6-14)11-3-2-4-12(9-11)16(18)19/h2-4,9H,5-8,10H2,1H3.
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide?
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 887128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).