3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide

C15H14F2N2O4S — CID 10316216

IUPAC3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O4S/c1-18-15(20)9-3-5-12(19-24(2,21)22)14(7-9)23-13-6-4-10(16)8-11(13)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyJTPCXDWCAYUJLK-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.49
Rot. Bonds5

About 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide

3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide (PubChem CID 10316216) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
PubChem CID10316216
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O4S/c1-18-15(20)9-3-5-12(19-24(2,21)22)14(7-9)23-13-6-4-10(16)8-11(13)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyJTPCXDWCAYUJLK-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
CID 10317066
N-[2-(2,4-difluorophenoxy)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methanesulfonamide
CID 10316217
3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
CID 19850887
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
CID 10738085
[(E)-1-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]ethylideneamino]thiourea
CID 11742516
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 10430237
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
N-[5-(2-bromoacetyl)-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10026012

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide (CID 10316216) is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide is CNC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is JTPCXDWCAYUJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-18-15(20)9-3-5-12(19-24(2,21)22)14(7-9)23-13-6-4-10(16)8-11(13)17/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide?
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 356.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 10316216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).