4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H18FNO3S2 — CID 9191002

IUPAC4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H18FNO3S2/c17-13-5-7-16(8-6-13)23(19,20)18(11-14-3-1-9-21-14)12-15-4-2-10-22-15/h2,4-8,10,14H,1,3,9,11-12H2/t14-/m1/s1
InChIKeyIOPJKNYGBXMUNF-CQSZACIVSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds6

About 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191002) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191002
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H18FNO3S2/c17-13-5-7-16(8-6-13)23(19,20)18(11-14-3-1-9-21-14)12-15-4-2-10-22-15/h2,4-8,10,14H,1,3,9,11-12H2/t14-/m1/s1
InChIKeyIOPJKNYGBXMUNF-CQSZACIVSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191002) is 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IOPJKNYGBXMUNF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-13-5-7-16(8-6-13)23(19,20)18(11-14-3-1-9-21-14)12-15-4-2-10-22-15/h2,4-8,10,14H,1,3,9,11-12H2/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).