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

C16H16F2N2O4S — CID 10317066

IUPAC3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-20(2)16(21)10-4-6-13(19-25(3,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,19H,1-3H3
InChIKeyFRIWYDYIVAGPKB-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.83
Rot. Bonds5

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

3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide (PubChem CID 10317066) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
PubChem CID10317066
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-20(2)16(21)10-4-6-13(19-25(3,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,19H,1-3H3
InChIKeyFRIWYDYIVAGPKB-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-methylbenzamide
CID 10316216
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
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 10430237
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
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,N-dimethylbenzamide?
The IUPAC name of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide (CID 10317066) is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide?
The InChIKey is FRIWYDYIVAGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-20(2)16(21)10-4-6-13(19-25(3,22)23)15(8-10)24-14-7-5-11(17)9-12(14)18/h4-9,19H,1-3H3.
What are the key properties of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide?
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide has a molecular weight of 370.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide is sourced from PubChem (CID 10317066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).