N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

C15H22N2O5S — CID 162800033

IUPACN-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1COC(CN2CCOCC2)C1O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-15-13(16-23(19,20)12-4-2-1-3-5-12)11-22-14(15)10-17-6-8-21-9-7-17/h1-5,13-16,18H,6-11H2
InChIKeyNNHAGDYDFBUCDE-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.57
Rot. Bonds5

About N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 162800033) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID162800033
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1COC(CN2CCOCC2)C1O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-15-13(16-23(19,20)12-4-2-1-3-5-12)11-22-14(15)10-17-6-8-21-9-7-17/h1-5,13-16,18H,6-11H2
InChIKeyNNHAGDYDFBUCDE-UHFFFAOYSA-N
XLogP-0.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzenesulfonamide
CID 125417921
3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide
CID 162799564
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 125417379
N-[(3S,4R,5S)-5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 125416986
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3-fluorobenzenesulfonamide
CID 125416940
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
CID 162844857
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-morpholin-4-yl-2-oxoethyl)oxolan-2-yl]methyl]benzenesulfonamide
CID 25390332
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
CID 126690427
N-[[4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 162789837

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (CID 162800033) is N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is O=S(=O)(NC1COC(CN2CCOCC2)C1O)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is NNHAGDYDFBUCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-15-13(16-23(19,20)12-4-2-1-3-5-12)11-22-14(15)10-17-6-8-21-9-7-17/h1-5,13-16,18H,6-11H2.
What are the key properties of N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 162800033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).