N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide

C20H20FNO6S3 — CID 44649372

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H20FNO6S3/c1-27-16-9-10-17(28-2)18(12-16)31(25,26)22-13-19(14-5-7-15(21)8-6-14)30(23,24)20-4-3-11-29-20/h3-12,19,22H,13H2,1-2H3
InChIKeyJSZHGYCKGYMLMF-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.40
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 44649372) has the molecular formula C20H20FNO6S3 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID44649372
Molecular FormulaC20H20FNO6S3
Molecular Weight485.58 g/mol
Exact Mass485.04
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H20FNO6S3/c1-27-16-9-10-17(28-2)18(12-16)31(25,26)22-13-19(14-5-7-15(21)8-6-14)30(23,24)20-4-3-11-29-20/h3-12,19,22H,13H2,1-2H3
InChIKeyJSZHGYCKGYMLMF-UHFFFAOYSA-N
XLogP3.40
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51662837

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide (CID 44649372) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is JSZHGYCKGYMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO6S3/c1-27-16-9-10-17(28-2)18(12-16)31(25,26)22-13-19(14-5-7-15(21)8-6-14)30(23,24)20-4-3-11-29-20/h3-12,19,22H,13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 485.58 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 44649372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).