N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C12H14F3NO3S — CID 94061219

IUPACN-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-2-1-3-11(6-10)20(17,18)16-7-9-4-5-19-8-9/h1-3,6,9,16H,4-5,7-8H2/t9-/m1/s1
InChIKeyCRLXYEZNSZUBOK-SECBINFHSA-N
MW309.31 g/mol
LogP2.02
Rot. Bonds4

About N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 94061219) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID94061219
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)10-2-1-3-11(6-10)20(17,18)16-7-9-4-5-19-8-9/h1-3,6,9,16H,4-5,7-8H2/t9-/m1/s1
InChIKeyCRLXYEZNSZUBOK-SECBINFHSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
2-chloro-N-[[(3S)-oxolan-3-yl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 94061212
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 6976625
4-fluoro-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 47072817
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 94061219) is N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CRLXYEZNSZUBOK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)10-2-1-3-11(6-10)20(17,18)16-7-9-4-5-19-8-9/h1-3,6,9,16H,4-5,7-8H2/t9-/m1/s1.
What are the key properties of N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 94061219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).