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

C16H17N3O5S — CID 146288983

IUPAC6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
SMILESCOCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C
InChIInChI=1S/C16H17N3O5S/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyNDEWIKZDUZUDIE-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.49
Rot. Bonds6

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

6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide (PubChem CID 146288983) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
PubChem CID146288983
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide
SMILESCOCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C
InChIInChI=1S/C16H17N3O5S/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyNDEWIKZDUZUDIE-UHFFFAOYSA-N
XLogP2.49
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide (CID 146288983) is 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide is COCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C.
What is the InChIKey of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
The InChIKey is NDEWIKZDUZUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide?
6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 146288983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).