3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide

C16H16F2N2O3S2 — CID 10430237

IUPAC3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
SMILESCCNC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O3S2/c1-3-19-16(21)10-4-6-13(20-25(2,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyCZOGHJNKZMAJKI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.24
Rot. Bonds6

About 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide

3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide (PubChem CID 10430237) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
PubChem CID10430237
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
SMILESCCNC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O3S2/c1-3-19-16(21)10-4-6-13(20-25(2,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyCZOGHJNKZMAJKI-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
N-[5-(2-bromoacetyl)-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10026012
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
CID 10316216
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
CID 10317066
2-(2,4-difluorophenyl)sulfanyl-4-(methylsulfonylmethyl)-1-(sulfinoamino)benzene
CID 57245263
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
3-(2,4-difluorophenyl)sulfanyl-N-methyl-4-nitrobenzamide
CID 10471482
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
CID 70968696
2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide
CID 113093318

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide (CID 10430237) is 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide is CCNC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide?
The InChIKey is CZOGHJNKZMAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c1-3-19-16(21)10-4-6-13(20-25(2,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide?
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 10430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).