3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide

C17H19NO5S — CID 110780749

IUPAC3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-12(19)13-5-4-6-16(9-13)24(20,21)18-11-14-7-8-15(22-2)10-17(14)23-3/h4-10,18H,11H2,1-3H3
InChIKeyMOUCUWWDFSULTO-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.38
Rot. Bonds7

About 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide

3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 110780749) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID110780749
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-12(19)13-5-4-6-16(9-13)24(20,21)18-11-14-7-8-15(22-2)10-17(14)23-3/h4-10,18H,11H2,1-3H3
InChIKeyMOUCUWWDFSULTO-UHFFFAOYSA-N
XLogP2.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46590064
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122252827
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
CID 110780799
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate
CID 100719949
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
5-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430693

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide (CID 110780749) is 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)c(OC)c1.
What is the InChIKey of 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MOUCUWWDFSULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(19)13-5-4-6-16(9-13)24(20,21)18-11-14-7-8-15(22-2)10-17(14)23-3/h4-10,18H,11H2,1-3H3.
What are the key properties of 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).