4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide

C18H21NO4S — CID 110780799

IUPAC4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-12-9-16(18(23-4)10-13(12)2)11-19-24(21,22)17-7-5-15(6-8-17)14(3)20/h5-10,19H,11H2,1-4H3
InChIKeyHCMVVNSJRYHFMV-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.99
Rot. Bonds6

About 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide

4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide (PubChem CID 110780799) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
PubChem CID110780799
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-12-9-16(18(23-4)10-13(12)2)11-19-24(21,22)17-7-5-15(6-8-17)14(3)20/h5-10,19H,11H2,1-4H3
InChIKeyHCMVVNSJRYHFMV-UHFFFAOYSA-N
XLogP2.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
4-acetyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3783005
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide (CID 110780799) is 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1CNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide?
The InChIKey is HCMVVNSJRYHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-9-16(18(23-4)10-13(12)2)11-19-24(21,22)17-7-5-15(6-8-17)14(3)20/h5-10,19H,11H2,1-4H3.
What are the key properties of 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide?
4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).