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

C11H13N3O6S — CID 82913033

IUPACN-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1
InChIInChI=1S/C11H13N3O6S/c12-21(18,19)10-5-8(14(16)17)3-4-9(10)20-6-11(15)13-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)(H2,12,18,19)
InChIKeyICCFITYUGUYGOR-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.10
Rot. Bonds6

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

N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide (PubChem CID 82913033) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
PubChem CID82913033
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC NameN-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1
InChIInChI=1S/C11H13N3O6S/c12-21(18,19)10-5-8(14(16)17)3-4-9(10)20-6-11(15)13-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)(H2,12,18,19)
InChIKeyICCFITYUGUYGOR-UHFFFAOYSA-N
XLogP-0.10
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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

N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913043
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N-cyclopentyl-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
CID 82916135
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
5-nitro-2-prop-2-ynoxybenzenesulfonamide
CID 82921555
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
CID 43164364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide (CID 82913033) is N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
The InChIKey is ICCFITYUGUYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c12-21(18,19)10-5-8(14(16)17)3-4-9(10)20-6-11(15)13-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)(H2,12,18,19).
What are the key properties of N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide?
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide has a molecular weight of 315.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82913033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).