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

C16H18FNO3S2 — CID 9191004

IUPAC2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H18FNO3S2/c17-15-7-1-2-8-16(15)23(19,20)18(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1
InChIKeyHDCRNUSRZDJCTH-CYBMUJFWSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds6

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

2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191004) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191004
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H18FNO3S2/c17-15-7-1-2-8-16(15)23(19,20)18(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1
InChIKeyHDCRNUSRZDJCTH-CYBMUJFWSA-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 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191004) is 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is HDCRNUSRZDJCTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-15-7-1-2-8-16(15)23(19,20)18(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1.
What are the key properties of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-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 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).