N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide

C16H16N2O4S — CID 162664083

IUPACN-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-8-15-12(11(2)17-22-15)9-13(10)18-23(19,20)16-7-5-4-6-14(16)21-3/h4-9,18H,1-3H3
InChIKeyNOVARKNGGZWHEF-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.25
Rot. Bonds4

About N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 162664083) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID162664083
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-8-15-12(11(2)17-22-15)9-13(10)18-23(19,20)16-7-5-4-6-14(16)21-3/h4-9,18H,1-3H3
InChIKeyNOVARKNGGZWHEF-UHFFFAOYSA-N
XLogP3.25
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide 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-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide (CID 162664083) is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc2c(C)noc2cc1C.
What is the InChIKey of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is NOVARKNGGZWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-8-15-12(11(2)17-22-15)9-13(10)18-23(19,20)16-7-5-4-6-14(16)21-3/h4-9,18H,1-3H3.
What are the key properties of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide?
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 162664083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).