2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide

C17H16F2N2O4S — CID 146147196

IUPAC2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1
InChIInChI=1S/C17H16F2N2O4S/c1-9(17(23)21-26(2,24)25)10-3-5-12(14(18)7-10)11-4-6-13(16(20)22)15(19)8-11/h3-9H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOTJMADTXSYOEKB-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.91
Rot. Bonds5

About 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide

2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide (PubChem CID 146147196) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide
PubChem CID146147196
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1
InChIInChI=1S/C17H16F2N2O4S/c1-9(17(23)21-26(2,24)25)10-3-5-12(14(18)7-10)11-4-6-13(16(20)22)15(19)8-11/h3-9H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOTJMADTXSYOEKB-UHFFFAOYSA-N
XLogP1.91
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
3-[4-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]phenyl]benzamide
CID 56950606
4-[4-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]phenyl]benzamide
CID 56950735
4'-((1S)-1-Fluoro-2-((isopropylsulfonyl)amino)-1-methylethyl)-N-methylbiphenyl-4-carboxamide
CID 49831670
2-[4-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]phenyl]benzamide
CID 56950602
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
CID 11538336
(2S)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
CID 11244434
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195
(2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
CID 11290475
2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
CID 22491108
S-benzamido 2-phenylpropanethioate
CID 57378555

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide (CID 146147196) is 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide is CC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(N)=O)c(F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide?
The InChIKey is OTJMADTXSYOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-9(17(23)21-26(2,24)25)10-3-5-12(14(18)7-10)11-4-6-13(16(20)22)15(19)8-11/h3-9H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide?
2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide has a molecular weight of 382.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-fluoro-4-[1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl]benzamide is sourced from PubChem (CID 146147196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).