2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C16H19NO5S — CID 6468216

IUPAC2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-20-13-8-9-16(15(10-13)22-3)23(18,19)17-11-12-6-4-5-7-14(12)21-2/h4-10,17H,11H2,1-3H3
InChIKeyKSAPSPBZSSAVDV-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.19
Rot. Bonds7

About 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 6468216) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID6468216
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-20-13-8-9-16(15(10-13)22-3)23(18,19)17-11-12-6-4-5-7-14(12)21-2/h4-10,17H,11H2,1-3H3
InChIKeyKSAPSPBZSSAVDV-UHFFFAOYSA-N
XLogP2.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992756
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 6468216) is 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2OC)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is KSAPSPBZSSAVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-20-13-8-9-16(15(10-13)22-3)23(18,19)17-11-12-6-4-5-7-14(12)21-2/h4-10,17H,11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 6468216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).