2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide

C10H12F2N2O3S — CID 140559120

IUPAC2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(N)=O)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c1-5(10(13)15)6-3-7(11)9(8(12)4-6)14-18(2,16)17/h3-5,14H,1-2H3,(H2,13,15)
InChIKeyZCJCVCLEZNXMGK-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.93
Rot. Bonds4

About 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide

2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 140559120) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID140559120
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(N)=O)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c1-5(10(13)15)6-3-7(11)9(8(12)4-6)14-18(2,16)17/h3-5,14H,1-2H3,(H2,13,15)
InChIKeyZCJCVCLEZNXMGK-UHFFFAOYSA-N
XLogP0.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide (CID 140559120) is 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(N)=O)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is ZCJCVCLEZNXMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-5(10(13)15)6-3-7(11)9(8(12)4-6)14-18(2,16)17/h3-5,14H,1-2H3,(H2,13,15).
What are the key properties of 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide?
2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 140559120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).