3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide

C10H12FN3O5S — CID 78953205

IUPAC3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H12FN3O5S/c11-8-4-7(5-9(6-8)14(16)17)10(15)13-2-1-3-20(12,18)19/h4-6H,1-3H2,(H,13,15)(H2,12,18,19)
InChIKeyYGOLWUCFLPSAQN-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.14
Rot. Bonds6

About 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide

3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 78953205) has the molecular formula C10H12FN3O5S and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
PubChem CID78953205
Molecular FormulaC10H12FN3O5S
Molecular Weight305.29 g/mol
Exact Mass305.05
IUPAC Name3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H12FN3O5S/c11-8-4-7(5-9(6-8)14(16)17)10(15)13-2-1-3-20(12,18)19/h4-6H,1-3H2,(H,13,15)(H2,12,18,19)
InChIKeyYGOLWUCFLPSAQN-UHFFFAOYSA-N
XLogP0.14
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 81448854
3-fluoro-N-(5-hydroxypentyl)-5-nitrobenzamide
CID 107318892
3-fluoro-N-[3-(methylamino)propyl]-5-nitrobenzamide
CID 81471141
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153
3-fluoro-N-(5-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103862016
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
N-(4-azidobutyl)-3-fluoro-5-nitrobenzamide
CID 106386884
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
4-[(3-fluoro-5-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107831940
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
CID 61131829
2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
CID 104783902
ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
CID 78953187

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide (CID 78953205) is 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide is NS(=O)(=O)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is YGOLWUCFLPSAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5S/c11-8-4-7(5-9(6-8)14(16)17)10(15)13-2-1-3-20(12,18)19/h4-6H,1-3H2,(H,13,15)(H2,12,18,19).
What are the key properties of 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide?
3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 305.29 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 78953205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).