N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

C12H14F3NO4S — CID 94183015

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-5-1-2-6-11(10)21(17,18)16-8-9-4-3-7-19-9/h1-2,5-6,9,16H,3-4,7-8H2/t9-/m1/s1
InChIKeyVRWFYQQTSHTXJM-SECBINFHSA-N
MW325.31 g/mol
LogP2.04
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 94183015) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID94183015
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-5-1-2-6-11(10)21(17,18)16-8-9-4-3-7-19-9/h1-2,5-6,9,16H,3-4,7-8H2/t9-/m1/s1
InChIKeyVRWFYQQTSHTXJM-SECBINFHSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 94183015) is N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC[C@H]1CCCO1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VRWFYQQTSHTXJM-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-12(14,15)20-10-5-1-2-6-11(10)21(17,18)16-8-9-4-3-7-19-9/h1-2,5-6,9,16H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 325.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 94183015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).