2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H17F2NO3S2 — CID 9191038

IUPAC2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(F)cccc1F)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C16H17F2NO3S2/c17-14-6-1-7-15(18)16(14)24(20,21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h1,3,5-7,9,12H,2,4,8,10-11H2/t12-/m0/s1
InChIKeyPFLDEKGQNYBOIN-LBPRGKRZSA-N
MW373.45 g/mol
LogP3.40
Rot. Bonds6

About 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191038) has the molecular formula C16H17F2NO3S2 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191038
Molecular FormulaC16H17F2NO3S2
Molecular Weight373.45 g/mol
Exact Mass373.06
IUPAC Name2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(F)cccc1F)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C16H17F2NO3S2/c17-14-6-1-7-15(18)16(14)24(20,21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h1,3,5-7,9,12H,2,4,8,10-11H2/t12-/m0/s1
InChIKeyPFLDEKGQNYBOIN-LBPRGKRZSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191038) is 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1c(F)cccc1F)N(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is PFLDEKGQNYBOIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F2NO3S2/c17-14-6-1-7-15(18)16(14)24(20,21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h1,3,5-7,9,12H,2,4,8,10-11H2/t12-/m0/s1.
What are the key properties of 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).