1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide

C12H15N3O4S — CID 106410575

IUPAC1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NCCc1ncno1
InChIInChI=1S/C12H15N3O4S/c16-7-10-2-1-3-11(6-10)8-20(17,18)15-5-4-12-13-9-14-19-12/h1-3,6,9,15-16H,4-5,7-8H2
InChIKeyIDBDHGYLUDTEDK-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.22
Rot. Bonds7

About 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide

1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide (PubChem CID 106410575) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
PubChem CID106410575
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(CO)c1)NCCc1ncno1
InChIInChI=1S/C12H15N3O4S/c16-7-10-2-1-3-11(6-10)8-20(17,18)15-5-4-12-13-9-14-19-12/h1-3,6,9,15-16H,4-5,7-8H2
InChIKeyIDBDHGYLUDTEDK-UHFFFAOYSA-N
XLogP0.22
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 103823879
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
CID 114185436
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106410541
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106391534
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide (CID 106410575) is 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cccc(CO)c1)NCCc1ncno1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is IDBDHGYLUDTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-7-10-2-1-3-11(6-10)8-20(17,18)15-5-4-12-13-9-14-19-12/h1-3,6,9,15-16H,4-5,7-8H2.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide?
1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106410575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).