4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide

C10H12ClFN2O3S — CID 70968696

IUPAC4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
SMILESCCNC(=O)c1cc(NS(C)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c1-3-13-10(15)6-4-9(14-18(2,16)17)7(11)5-8(6)12/h4-5,14H,3H2,1-2H3,(H,13,15)
InChIKeyVWUYXMUZYAWYLJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide

4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide (PubChem CID 70968696) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
PubChem CID70968696
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
SMILESCCNC(=O)c1cc(NS(C)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c1-3-13-10(15)6-4-9(14-18(2,16)17)7(11)5-8(6)12/h4-5,14H,3H2,1-2H3,(H,13,15)
InChIKeyVWUYXMUZYAWYLJ-UHFFFAOYSA-N
XLogP1.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
CID 141137418
N-(2-chloro-4-fluoro-5-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
CID 71017015
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-chloro-3-(ethylcarbamoyl)-5,6-difluorobenzenesulfonyl chloride
CID 65367815
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]propanoate
CID 82773162
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide (CID 70968696) is 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide is CCNC(=O)c1cc(NS(C)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide?
The InChIKey is VWUYXMUZYAWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c1-3-13-10(15)6-4-9(14-18(2,16)17)7(11)5-8(6)12/h4-5,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide?
4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide has a molecular weight of 294.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 70968696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).