3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

C10H12F2N2O3S — CID 47101515

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c1-13-10(15)4-5-14-18(16,17)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyNJPLZSQDUKYKAS-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.38
Rot. Bonds5

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 47101515) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID47101515
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c1-13-10(15)4-5-14-18(16,17)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyNJPLZSQDUKYKAS-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (CID 47101515) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is NJPLZSQDUKYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-13-10(15)4-5-14-18(16,17)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 278.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 47101515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).