4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

C17H27NO5S — CID 110292829

IUPAC4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCC2(CO)CCOCC2)cc1C
InChIInChI=1S/C17H27NO5S/c1-4-23-15-9-14(3)16(10-13(15)2)24(20,21)18-11-17(12-19)5-7-22-8-6-17/h9-10,18-19H,4-8,11-12H2,1-3H3
InChIKeyHZPXUXIRHYIUHN-UHFFFAOYSA-N
MW357.47 g/mol
LogP1.77
Rot. Bonds7

About 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 110292829) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID110292829
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC Name4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCC2(CO)CCOCC2)cc1C
InChIInChI=1S/C17H27NO5S/c1-4-23-15-9-14(3)16(10-13(15)2)24(20,21)18-11-17(12-19)5-7-22-8-6-17/h9-10,18-19H,4-8,11-12H2,1-3H3
InChIKeyHZPXUXIRHYIUHN-UHFFFAOYSA-N
XLogP1.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115455427
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (CID 110292829) is 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCC2(CO)CCOCC2)cc1C.
What is the InChIKey of 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is HZPXUXIRHYIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-4-23-15-9-14(3)16(10-13(15)2)24(20,21)18-11-17(12-19)5-7-22-8-6-17/h9-10,18-19H,4-8,11-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110292829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).