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

C17H16FNO3S3 — CID 97106538

IUPAC4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2cccs2)s1
InChIInChI=1S/C17H16FNO3S3/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
InChIKeyYJFXNWWMROEBDJ-QGZVFWFLSA-N
MW397.52 g/mol
LogP3.82
Rot. Bonds6

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

4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 97106538) has the molecular formula C17H16FNO3S3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID97106538
Molecular FormulaC17H16FNO3S3
Molecular Weight397.52 g/mol
Exact Mass397.03
IUPAC Name4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2cccs2)s1
InChIInChI=1S/C17H16FNO3S3/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
InChIKeyYJFXNWWMROEBDJ-QGZVFWFLSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (CID 97106538) is 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc([C@H](O)c2cccs2)s1.
What is the InChIKey of 4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is YJFXNWWMROEBDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FNO3S3/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)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[[5-[(R)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 3.82, 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)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 97106538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).