4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

C17H16FNO4S2 — CID 99873374

IUPAC4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C17H16FNO4S2/c1-11-9-12(18)4-7-16(11)25(21,22)19-10-13-5-6-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3/t17-/m1/s1
InChIKeyZKZJEFGWSOFVHW-QGZVFWFLSA-N
MW381.45 g/mol
LogP3.35
Rot. Bonds6

About 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 99873374) has the molecular formula C17H16FNO4S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID99873374
Molecular FormulaC17H16FNO4S2
Molecular Weight381.45 g/mol
Exact Mass381.05
IUPAC Name4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C17H16FNO4S2/c1-11-9-12(18)4-7-16(11)25(21,22)19-10-13-5-6-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3/t17-/m1/s1
InChIKeyZKZJEFGWSOFVHW-QGZVFWFLSA-N
XLogP3.35
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240
4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 97106538
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121133548
3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133529
2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133577
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 121133566
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121133584
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (CID 99873374) is 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2ccco2)s1.
What is the InChIKey of 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is ZKZJEFGWSOFVHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FNO4S2/c1-11-9-12(18)4-7-16(11)25(21,22)19-10-13-5-6-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3/t17-/m1/s1.
What are the key properties of 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 99873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).