5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide

C17H16FNO6S3 — CID 40775212

IUPAC5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FNO6S3/c1-24-13-7-6-12(18)10-15(13)28(22,23)19-11-16(14-4-2-8-25-14)27(20,21)17-5-3-9-26-17/h2-10,16,19H,11H2,1H3/t16-/m1/s1
InChIKeyWCTQNYBCSWKUST-MRXNPFEDSA-N
MW445.52 g/mol
LogP2.98
Rot. Bonds8

About 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide (PubChem CID 40775212) has the molecular formula C17H16FNO6S3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
PubChem CID40775212
Molecular FormulaC17H16FNO6S3
Molecular Weight445.52 g/mol
Exact Mass445.01
IUPAC Name5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FNO6S3/c1-24-13-7-6-12(18)10-15(13)28(22,23)19-11-16(14-4-2-8-25-14)27(20,21)17-5-3-9-26-17/h2-10,16,19H,11H2,1H3/t16-/m1/s1
InChIKeyWCTQNYBCSWKUST-MRXNPFEDSA-N
XLogP2.98
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 18574164
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide (CID 40775212) is 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide?
The InChIKey is WCTQNYBCSWKUST-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FNO6S3/c1-24-13-7-6-12(18)10-15(13)28(22,23)19-11-16(14-4-2-8-25-14)27(20,21)17-5-3-9-26-17/h2-10,16,19H,11H2,1H3/t16-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide has a molecular weight of 445.52 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 40775212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).