5-(ethylsulfamoyl)-2-fluorobenzoyl chloride

C9H9ClFNO3S — CID 66486989

IUPAC5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C9H9ClFNO3S/c1-2-12-16(14,15)6-3-4-8(11)7(5-6)9(10)13/h3-5,12H,2H2,1H3
InChIKeyAZHXJBQAGAGTDA-UHFFFAOYSA-N
MW265.69 g/mol
LogP1.50
Rot. Bonds4

About 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride

5-(ethylsulfamoyl)-2-fluorobenzoyl chloride (PubChem CID 66486989) has the molecular formula C9H9ClFNO3S and a molecular weight of 265.69 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
PubChem CID66486989
Molecular FormulaC9H9ClFNO3S
Molecular Weight265.69 g/mol
Exact Mass265.00
IUPAC Name5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C9H9ClFNO3S/c1-2-12-16(14,15)6-3-4-8(11)7(5-6)9(10)13/h3-5,12H,2H2,1H3
InChIKeyAZHXJBQAGAGTDA-UHFFFAOYSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride 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-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 142910845
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 55910283
N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide
CID 154838797
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 75376134
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride (CID 66486989) is 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride is CCNS(=O)(=O)c1ccc(F)c(C(=O)Cl)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride?
The InChIKey is AZHXJBQAGAGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3S/c1-2-12-16(14,15)6-3-4-8(11)7(5-6)9(10)13/h3-5,12H,2H2,1H3.
What are the key properties of 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride?
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride has a molecular weight of 265.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluorobenzoyl chloride is sourced from PubChem (CID 66486989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).