2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide

C11H16N4O5S — CID 115993282

IUPAC2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide
SMILESCCCNc1cccc(S(=O)(=O)NCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-2-6-13-8-4-3-5-9(11(8)15(17)18)21(19,20)14-7-10(12)16/h3-5,13-14H,2,6-7H2,1H3,(H2,12,16)
InChIKeyWXAIVZMMBSTPJF-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.18
Rot. Bonds8

About 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide

2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide (PubChem CID 115993282) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide
PubChem CID115993282
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide
SMILESCCCNc1cccc(S(=O)(=O)NCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-2-6-13-8-4-3-5-9(11(8)15(17)18)21(19,20)14-7-10(12)16/h3-5,13-14H,2,6-7H2,1H3,(H2,12,16)
InChIKeyWXAIVZMMBSTPJF-UHFFFAOYSA-N
XLogP0.18
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
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

3-[[3-(methylamino)-2-nitrophenyl]sulfonylamino]propanamide
CID 115993408
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
3-N-(2-methylsulfonylethyl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80791907
3-[2-nitro-3-(propylamino)anilino]propane-1-sulfonamide
CID 80793350
2-[(3-amino-2-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 115993428
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-N,3-N-diethyl-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80767484
3-N-(3-ethylpentan-3-yl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80827036
3-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80802709
3-(methylamino)-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 115993594
2-[1-[[2-nitro-3-(propylamino)anilino]methyl]cyclopropyl]ethanol
CID 114759529
3-amino-N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
CID 112675241

Frequently Asked Questions

What is the IUPAC name of 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide (CID 115993282) is 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide is CCCNc1cccc(S(=O)(=O)NCC(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide?
The InChIKey is WXAIVZMMBSTPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-2-6-13-8-4-3-5-9(11(8)15(17)18)21(19,20)14-7-10(12)16/h3-5,13-14H,2,6-7H2,1H3,(H2,12,16).
What are the key properties of 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide?
2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-nitro-3-(propylamino)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 115993282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).