4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide

C15H14ClFN2O3S — CID 100913420

IUPAC4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C15H14ClFN2O3S/c1-2-9-5-3-4-6-13(9)19-15(20)10-7-14(23(18,21)22)11(16)8-12(10)17/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyVTFIPKHGDYOWRH-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide

4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 100913420) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID100913420
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C15H14ClFN2O3S/c1-2-9-5-3-4-6-13(9)19-15(20)10-7-14(23(18,21)22)11(16)8-12(10)17/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyVTFIPKHGDYOWRH-UHFFFAOYSA-N
XLogP2.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-dichlorophenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913416
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
3-(4-chloro-3-hydroxyphenyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 169205454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide (CID 100913420) is 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide is CCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is VTFIPKHGDYOWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-2-9-5-3-4-6-13(9)19-15(20)10-7-14(23(18,21)22)11(16)8-12(10)17/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide?
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 356.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 100913420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).