4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

C13H19NO4S — CID 61435824

IUPAC4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4S/c1-14(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyKQPUZJHLVDSXIW-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.58
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 61435824) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID61435824
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4S/c1-14(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyKQPUZJHLVDSXIW-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97109915
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
3-amino-4-fluoro-N,5-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 115421434
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 61435824) is 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is KQPUZJHLVDSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-14(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(15)6-8-13/h5-8,12,15H,2-4,9-10H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61435824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).