2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

C12H15F2NO4S — CID 47218635

IUPAC2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyJCORKMRHRJEZOM-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.89
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 47218635) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID47218635
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Name2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyJCORKMRHRJEZOM-UHFFFAOYSA-N
XLogP0.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
2-(3,4-difluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224429
2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992926
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
4-fluoro-3-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 80557139
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
N-[(2S)-1-methoxypropan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfonyl)acetamide
CID 94027547
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
CID 86992770

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (CID 47218635) is 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JCORKMRHRJEZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 47218635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).