3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

C12H15N3O5S — CID 106410408

IUPAC3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1CO
InChIInChI=1S/C12H15N3O5S/c1-8-14-12(15-20-8)6-13-21(17,18)10-3-4-11(19-2)9(5-10)7-16/h3-5,13,16H,6-7H2,1-2H3
InChIKeyCWBAALWMFOZRBX-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.36
Rot. Bonds6

About 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106410408) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
PubChem CID106410408
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1CO
InChIInChI=1S/C12H15N3O5S/c1-8-14-12(15-20-8)6-13-21(17,18)10-3-4-11(19-2)9(5-10)7-16/h3-5,13,16H,6-7H2,1-2H3
InChIKeyCWBAALWMFOZRBX-UHFFFAOYSA-N
XLogP0.36
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410794
3-(hydroxymethyl)-4-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423599
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
1-ethyl-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106410426
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (CID 106410408) is 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is CWBAALWMFOZRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-8-14-12(15-20-8)6-13-21(17,18)10-3-4-11(19-2)9(5-10)7-16/h3-5,13,16H,6-7H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 313.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106410408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).