3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide

C10H12F2N2O3S — CID 90774689

IUPAC3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCC(N)=O)cc1F
InChIInChI=1S/C10H12F2N2O3S/c1-18(16,17)14-10-7(11)4-6(5-8(10)12)2-3-9(13)15/h4-5,14H,2-3H2,1H3,(H2,13,15)
InChIKeyRUOCEDUPWQOSRW-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.75
Rot. Bonds5

About 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide

3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 90774689) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID90774689
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCC(N)=O)cc1F
InChIInChI=1S/C10H12F2N2O3S/c1-18(16,17)14-10-7(11)4-6(5-8(10)12)2-3-9(13)15/h4-5,14H,2-3H2,1H3,(H2,13,15)
InChIKeyRUOCEDUPWQOSRW-UHFFFAOYSA-N
XLogP0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 140559120
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
3-fluoro-4-(methanesulfonamido)-5-methylbenzamide
CID 91006628
3-(4-tert-butylphenyl)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide;3-(4-tert-butylphenyl)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 87893830
1-bromo-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]thiophene-1-carboxamide
CID 87273286
2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67111129
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide
CID 90346738
3-(3,5-ditert-butylphenyl)propanamide
CID 58456414
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
(E)-3-(4-tert-butylphenyl)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 11851489
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide (CID 90774689) is 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1c(F)cc(CCC(N)=O)cc1F.
What is the InChIKey of 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is RUOCEDUPWQOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-18(16,17)14-10-7(11)4-6(5-8(10)12)2-3-9(13)15/h4-5,14H,2-3H2,1H3,(H2,13,15).
What are the key properties of 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 90774689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).