N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

C14H19N3O5S — CID 164631156

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(C)cc(C)c2nonc12
InChIInChI=1S/C14H19N3O5S/c1-8-6-9(2)14(13-12(8)15-22-16-13)23(18,19)17-10-4-5-21-7-11(10)20-3/h6,10-11,17H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCPAUCPGUWPSOKV-QWRGUYRKSA-N
MW341.39 g/mol
LogP0.92
Rot. Bonds4

About N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 164631156) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID164631156
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(C)cc(C)c2nonc12
InChIInChI=1S/C14H19N3O5S/c1-8-6-9(2)14(13-12(8)15-22-16-13)23(18,19)17-10-4-5-21-7-11(10)20-3/h6,10-11,17H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCPAUCPGUWPSOKV-QWRGUYRKSA-N
XLogP0.92
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 164631156) is N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(C)cc(C)c2nonc12.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is CPAUCPGUWPSOKV-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-8-6-9(2)14(13-12(8)15-22-16-13)23(18,19)17-10-4-5-21-7-11(10)20-3/h6,10-11,17H,4-5,7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 164631156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).