2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide

C16H19NO4S — CID 934660

IUPAC2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-12-8-9-15(21-3)16(10-12)22(18,19)17-11-13-6-4-5-7-14(13)20-2/h4-10,17H,11H2,1-3H3
InChIKeyPRKHWMCGAPNLEM-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.49
Rot. Bonds6

About 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide

2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide (PubChem CID 934660) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide
PubChem CID934660
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-12-8-9-15(21-3)16(10-12)22(18,19)17-11-13-6-4-5-7-14(13)20-2/h4-10,17H,11H2,1-3H3
InChIKeyPRKHWMCGAPNLEM-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide (CID 934660) is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is PRKHWMCGAPNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12-8-9-15(21-3)16(10-12)22(18,19)17-11-13-6-4-5-7-14(13)20-2/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide?
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 934660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).