N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide

C14H13F2NO3S — CID 10358200

IUPACN-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-3-5-12(17-21(2,18)19)14(7-9)20-13-6-4-10(15)8-11(13)16/h3-8,17H,1-2H3
InChIKeyJKDAXHUNUNIGMD-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide

N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide (PubChem CID 10358200) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
PubChem CID10358200
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-3-5-12(17-21(2,18)19)14(7-9)20-13-6-4-10(15)8-11(13)16/h3-8,17H,1-2H3
InChIKeyJKDAXHUNUNIGMD-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
(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
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 10094038
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide (CID 10358200) is N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide?
The InChIKey is JKDAXHUNUNIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-3-5-12(17-21(2,18)19)14(7-9)20-13-6-4-10(15)8-11(13)16/h3-8,17H,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide?
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 10358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).