N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide

C15H23NO5S — CID 110292799

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C15H23NO5S/c1-12-3-4-13(20-2)14(9-12)22(18,19)16-10-15(11-17)5-7-21-8-6-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3
InChIKeyFVHMFMJADKXMGX-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.07
Rot. Bonds6

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 110292799) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID110292799
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C15H23NO5S/c1-12-3-4-13(20-2)14(9-12)22(18,19)16-10-15(11-17)5-7-21-8-6-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3
InChIKeyFVHMFMJADKXMGX-UHFFFAOYSA-N
XLogP1.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 110292829
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 103848139
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide (CID 110292799) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1(CO)CCOCC1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is FVHMFMJADKXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-12-3-4-13(20-2)14(9-12)22(18,19)16-10-15(11-17)5-7-21-8-6-15/h3-4,9,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 110292799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).