4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C19H15F2NO3S2 — CID 22584082

IUPAC4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO3S2/c20-14-5-3-13(4-6-14)19(23)22-12-18(17-2-1-11-26-17)27(24,25)16-9-7-15(21)8-10-16/h1-11,18H,12H2,(H,22,23)
InChIKeyNTIQBFDJXWEMIE-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.97
Rot. Bonds6

About 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 22584082) has the molecular formula C19H15F2NO3S2 and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID22584082
Molecular FormulaC19H15F2NO3S2
Molecular Weight407.46 g/mol
Exact Mass407.05
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO3S2/c20-14-5-3-13(4-6-14)19(23)22-12-18(17-2-1-11-26-17)27(24,25)16-9-7-15(21)8-10-16/h1-11,18H,12H2,(H,22,23)
InChIKeyNTIQBFDJXWEMIE-UHFFFAOYSA-N
XLogP3.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 27555335
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-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22584092
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
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 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 22584082) is 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is O=C(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is NTIQBFDJXWEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S2/c20-14-5-3-13(4-6-14)19(23)22-12-18(17-2-1-11-26-17)27(24,25)16-9-7-15(21)8-10-16/h1-11,18H,12H2,(H,22,23).
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 407.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 22584082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).