2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide

C16H23F2NO3S — CID 86992926

IUPAC2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2NO3S/c1-11(2)8-19(9-12(3)4)16(20)10-23(21,22)13-5-6-14(17)15(18)7-13/h5-7,11-12H,8-10H2,1-4H3
InChIKeyHTTVZDHULNJOIV-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.88
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide

2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide (PubChem CID 86992926) has the molecular formula C16H23F2NO3S and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
PubChem CID86992926
Molecular FormulaC16H23F2NO3S
Molecular Weight347.43 g/mol
Exact Mass347.14
IUPAC Name2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2NO3S/c1-11(2)8-19(9-12(3)4)16(20)10-23(21,22)13-5-6-14(17)15(18)7-13/h5-7,11-12H,8-10H2,1-4H3
InChIKeyHTTVZDHULNJOIV-UHFFFAOYSA-N
XLogP2.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992855
2-(3,4-difluorophenyl)sulfonylethanol
CID 111104635
2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 47218635
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
CID 64643351
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516291
4-[2-(bromomethyl)-3-methylbutyl]sulfonyl-1,2-difluorobenzene
CID 65012976
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795
2-fluoro-4-(4-methylpentylsulfonyl)aniline
CID 83163544
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
5-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
CID 61489074

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide (CID 86992926) is 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is HTTVZDHULNJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3S/c1-11(2)8-19(9-12(3)4)16(20)10-23(21,22)13-5-6-14(17)15(18)7-13/h5-7,11-12H,8-10H2,1-4H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 86992926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).