N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide

C15H15N3O4S — CID 146289012

IUPACN-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
SMILESCOCc1cc2onc(NS(=O)(=O)c3cccnc3)c2cc1C
InChIInChI=1S/C15H15N3O4S/c1-10-6-13-14(7-11(10)9-21-2)22-17-15(13)18-23(19,20)12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBMQPDVCNSKHZJM-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.48
Rot. Bonds5

About N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide

N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide (PubChem CID 146289012) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
PubChem CID146289012
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
SMILESCOCc1cc2onc(NS(=O)(=O)c3cccnc3)c2cc1C
InChIInChI=1S/C15H15N3O4S/c1-10-6-13-14(7-11(10)9-21-2)22-17-15(13)18-23(19,20)12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyBMQPDVCNSKHZJM-UHFFFAOYSA-N
XLogP2.48
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide (CID 146289012) is N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide is COCc1cc2onc(NS(=O)(=O)c3cccnc3)c2cc1C.
What is the InChIKey of N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The InChIKey is BMQPDVCNSKHZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10-6-13-14(7-11(10)9-21-2)22-17-15(13)18-23(19,20)12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 146289012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).