2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide

C10H14FN3O3S — CID 63110426

IUPAC2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H14FN3O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5,12H2,(H,14,15)(H2,13,16,17)
InChIKeyQHVRDVTWGPMZMA-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide

2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 63110426) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
PubChem CID63110426
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H14FN3O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5,12H2,(H,14,15)(H2,13,16,17)
InChIKeyQHVRDVTWGPMZMA-UHFFFAOYSA-N
XLogP-0.18
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide (CID 63110426) is 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide is Nc1cc(F)ccc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is QHVRDVTWGPMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide?
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 275.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 63110426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).