2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C19H14F3NO3S2 — CID 27545836

IUPAC2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H14F3NO3S2/c20-12-6-8-13(9-7-12)28(25,26)17(16-5-2-10-27-16)11-23-19(24)18-14(21)3-1-4-15(18)22/h1-10,17H,11H2,(H,23,24)/t17-/m1/s1
InChIKeyQWCSVFJMPNECOC-QGZVFWFLSA-N
MW425.45 g/mol
LogP4.11
Rot. Bonds6

About 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 27545836) has the molecular formula C19H14F3NO3S2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID27545836
Molecular FormulaC19H14F3NO3S2
Molecular Weight425.45 g/mol
Exact Mass425.04
IUPAC Name2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H14F3NO3S2/c20-12-6-8-13(9-7-12)28(25,26)17(16-5-2-10-27-16)11-23-19(24)18-14(21)3-1-4-15(18)22/h1-10,17H,11H2,(H,23,24)/t17-/m1/s1
InChIKeyQWCSVFJMPNECOC-QGZVFWFLSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22584092
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 27555335
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 27545836) is 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is QWCSVFJMPNECOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14F3NO3S2/c20-12-6-8-13(9-7-12)28(25,26)17(16-5-2-10-27-16)11-23-19(24)18-14(21)3-1-4-15(18)22/h1-10,17H,11H2,(H,23,24)/t17-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 425.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 27545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).