2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide

C11H16N4O5S — CID 82846047

IUPAC2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C11H16N4O5S/c1-3-13-11(16)7(2)14-21(19,20)8-4-5-10(15(17)18)9(12)6-8/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyFZDVIXXQDCYDJX-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide

2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 82846047) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID82846047
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C11H16N4O5S/c1-3-13-11(16)7(2)14-21(19,20)8-4-5-10(15(17)18)9(12)6-8/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyFZDVIXXQDCYDJX-UHFFFAOYSA-N
XLogP-0.02
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
3-amino-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 82847707
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 82847437
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
3-amino-4-nitro-N-propylbenzenesulfonamide
CID 82854999
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide (CID 82846047) is 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is FZDVIXXQDCYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-3-13-11(16)7(2)14-21(19,20)8-4-5-10(15(17)18)9(12)6-8/h4-7,14H,3,12H2,1-2H3,(H,13,16).
What are the key properties of 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide?
2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 316.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 82846047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).