N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

C17H21NO5S — CID 2578350

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-18(12-13-5-6-15(22-3)11-17(13)23-4)24(19,20)16-9-7-14(21-2)8-10-16/h5-11H,12H2,1-4H3
InChIKeyZANIPIDEAVYCLF-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.53
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 2578350) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID2578350
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-18(12-13-5-6-15(22-3)11-17(13)23-4)24(19,20)16-9-7-14(21-2)8-10-16/h5-11H,12H2,1-4H3
InChIKeyZANIPIDEAVYCLF-UHFFFAOYSA-N
XLogP2.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (CID 2578350) is N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is ZANIPIDEAVYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-18(12-13-5-6-15(22-3)11-17(13)23-4)24(19,20)16-9-7-14(21-2)8-10-16/h5-11H,12H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 2578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).