2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide

C9H12N4O5S — CID 112699109

IUPAC2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNc1c(C(=O)NCCS(N)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O5S/c10-8-6(2-1-3-7(8)13(15)16)9(14)12-4-5-19(11,17)18/h1-3H,4-5,10H2,(H,12,14)(H2,11,17,18)
InChIKeyLTSWWIDJBGQJRB-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.80
Rot. Bonds5

About 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide

2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide (PubChem CID 112699109) has the molecular formula C9H12N4O5S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
PubChem CID112699109
Molecular FormulaC9H12N4O5S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNc1c(C(=O)NCCS(N)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O5S/c10-8-6(2-1-3-7(8)13(15)16)9(14)12-4-5-19(11,17)18/h1-3H,4-5,10H2,(H,12,14)(H2,11,17,18)
InChIKeyLTSWWIDJBGQJRB-UHFFFAOYSA-N
XLogP-0.80
TPSA158.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.80
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-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898
2-amino-3-nitro-N-octylbenzamide
CID 115936915
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
CID 103767889
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
2-amino-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115677648
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide (CID 112699109) is 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide is Nc1c(C(=O)NCCS(N)(=O)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is LTSWWIDJBGQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5S/c10-8-6(2-1-3-7(8)13(15)16)9(14)12-4-5-19(11,17)18/h1-3H,4-5,10H2,(H,12,14)(H2,11,17,18).
What are the key properties of 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide?
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide has a molecular weight of 288.28 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 112699109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).