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

C14H19N3O3S — CID 131944898

IUPAC2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1noc(CC(C)C)n1
InChIInChI=1S/C14H19N3O3S/c1-10(2)8-14-16-13(17-20-14)9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyMRPVXLKYVIPIOO-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.06
Rot. Bonds6

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

2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 131944898) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID131944898
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1noc(CC(C)C)n1
InChIInChI=1S/C14H19N3O3S/c1-10(2)8-14-16-13(17-20-14)9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyMRPVXLKYVIPIOO-UHFFFAOYSA-N
XLogP2.06
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (CID 131944898) is 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1noc(CC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is MRPVXLKYVIPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)8-14-16-13(17-20-14)9-15-21(18,19)12-7-5-4-6-11(12)3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 131944898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).