N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide

C10H10N4O6S — CID 82913043

IUPACN-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
SMILESN#CCNC(=O)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C10H10N4O6S/c11-3-4-13-10(15)6-20-8-2-1-7(14(16)17)5-9(8)21(12,18)19/h1-2,5H,4,6H2,(H,13,15)(H2,12,18,19)
InChIKeySJDBPJGQESNDEL-UHFFFAOYSA-N
MW314.28 g/mol
LogP-0.74
Rot. Bonds6

About N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide

N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide (PubChem CID 82913043) has the molecular formula C10H10N4O6S and a molecular weight of 314.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
PubChem CID82913043
Molecular FormulaC10H10N4O6S
Molecular Weight314.28 g/mol
Exact Mass314.03
IUPAC NameN-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
SMILESN#CCNC(=O)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C10H10N4O6S/c11-3-4-13-10(15)6-20-8-2-1-7(14(16)17)5-9(8)21(12,18)19/h1-2,5H,4,6H2,(H,13,15)(H2,12,18,19)
InChIKeySJDBPJGQESNDEL-UHFFFAOYSA-N
XLogP-0.74
TPSA165.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', '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

N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
5-nitro-2-prop-2-ynoxybenzenesulfonamide
CID 82921555
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
CID 43164364
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675
2-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
2-(2-bromo-5-nitrophenoxy)-N-prop-2-ynylacetamide
CID 102975254
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782
3-chlorosulfonyl-4-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 82913683
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
N-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide (CID 82913043) is N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide is N#CCNC(=O)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The InChIKey is SJDBPJGQESNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O6S/c11-3-4-13-10(15)6-20-8-2-1-7(14(16)17)5-9(8)21(12,18)19/h1-2,5H,4,6H2,(H,13,15)(H2,12,18,19).
What are the key properties of N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide has a molecular weight of 314.28 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82913043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).