N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide

C10H10FN3O5S — CID 65374989

IUPACN-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])cc(C(=O)NC2CC2)c1F
InChIInChI=1S/C10H10FN3O5S/c11-9-7(10(15)13-5-1-2-5)3-6(14(16)17)4-8(9)20(12,18)19/h3-5H,1-2H2,(H,13,15)(H2,12,18,19)
InChIKeyLSDSPTRUNQRSLF-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.27
Rot. Bonds4

About N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide

N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide (PubChem CID 65374989) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide
PubChem CID65374989
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC NameN-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])cc(C(=O)NC2CC2)c1F
InChIInChI=1S/C10H10FN3O5S/c11-9-7(10(15)13-5-1-2-5)3-6(14(16)17)4-8(9)20(12,18)19/h3-5H,1-2H2,(H,13,15)(H2,12,18,19)
InChIKeyLSDSPTRUNQRSLF-UHFFFAOYSA-N
XLogP0.27
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(cyclobutylcarbamoyl)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 65397013
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468
N-(3,3-dimethylcyclopentyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297633
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
N-cyclobutyl-3-nitro-5-sulfamoylbenzamide
CID 65388072
2-fluoro-3-(2-fluoroethylcarbamoyl)-5-nitrobenzenesulfonyl chloride
CID 114267173
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide
CID 81478632
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide (CID 65374989) is N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide is NS(=O)(=O)c1cc([N+](=O)[O-])cc(C(=O)NC2CC2)c1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide?
The InChIKey is LSDSPTRUNQRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-9-7(10(15)13-5-1-2-5)3-6(14(16)17)4-8(9)20(12,18)19/h3-5H,1-2H2,(H,13,15)(H2,12,18,19).
What are the key properties of N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide?
N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide has a molecular weight of 303.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide is sourced from PubChem (CID 65374989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).