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

C10H12ClFN2O3S — CID 47337136

IUPAC4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17)
InChIKeyYMAFUTDVPDUCBX-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.89
Rot. Bonds5

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

4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 47337136) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
PubChem CID47337136
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17)
InChIKeyYMAFUTDVPDUCBX-UHFFFAOYSA-N
XLogP0.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-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

N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 63110426
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide (CID 47337136) is 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide is NS(=O)(=O)CCCNC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is YMAFUTDVPDUCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-7-2-3-8(9(12)6-7)10(15)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17).
What are the key properties of 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide?
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 294.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 47337136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).