N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide

C16H15F3N2O3S — CID 113071824

IUPACN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-6-5-13(18)10-14(15)19)8-7-20-16(22)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,22)
InChIKeyUGTFWSBOJZCABR-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide

N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide (PubChem CID 113071824) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
PubChem CID113071824
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-6-5-13(18)10-14(15)19)8-7-20-16(22)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,22)
InChIKeyUGTFWSBOJZCABR-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113072167
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071817
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide (CID 113071824) is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide is CS(=O)(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide?
The InChIKey is UGTFWSBOJZCABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-6-5-13(18)10-14(15)19)8-7-20-16(22)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide?
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide has a molecular weight of 372.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113071824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).