4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide

C15H17NO4S — CID 893150

IUPAC4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C15H17NO4S/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3
InChIKeyHLCKPENXWOSSSU-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.81
Rot. Bonds5

About 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide

4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 893150) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID893150
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C
InChIInChI=1S/C15H17NO4S/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3
InChIKeyHLCKPENXWOSSSU-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide (CID 893150) is 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C.
What is the InChIKey of 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is HLCKPENXWOSSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3.
What are the key properties of 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide?
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 893150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).