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

C16H18FNO3S2 — CID 9191001

IUPAC4-fluoro-N-[[(2S)-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-/m0/s1
InChIKeyIOPJKNYGBXMUNF-AWEZNQCLSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds6

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

4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191001) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191001
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name4-fluoro-N-[[(2S)-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-/m0/s1
InChIKeyIOPJKNYGBXMUNF-AWEZNQCLSA-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

Analyze 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

Benzene-1,4-disulfonic acid 1-cyclopentylamide 4-[(tetrahydro-furan-2-ylmethyl)-thiophen-2-ylmethyl-amide]
CID 648468
2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207057
4-(Piperidine-1-sulfonyl)-N-(tetrahydro-furan-2-ylmethyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 647891
4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4290332
N-methyl-N-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propan-2-amine
CID 47034992
1-N-cyclohexyl-1-N-methyl-4-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189877
Ethyl 2-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 4171320
4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17408544
4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17412522
2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 42947045
2,6-difluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 49676631
N-(tetrahydro-2H-pyran-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 76147246

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191001) is 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IOPJKNYGBXMUNF-AWEZNQCLSA-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-/m0/s1.
What are the key properties of 4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).