N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide

C17H19NO5S — CID 110424896

IUPACN-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C17H19NO5S/c1-11-5-6-13(12(2)19)9-15(11)18-24(20,21)17-10-14(22-3)7-8-16(17)23-4/h5-10,18H,1-4H3
InChIKeyOOKVLNDXOZVAFC-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.02
Rot. Bonds6

About N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide

N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 110424896) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID110424896
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C17H19NO5S/c1-11-5-6-13(12(2)19)9-15(11)18-24(20,21)17-10-14(22-3)7-8-16(17)23-4/h5-10,18H,1-4H3
InChIKeyOOKVLNDXOZVAFC-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
4-methoxy-3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoate
CID 4088975
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516507
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
CID 47062648

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 110424896) is N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)=O)ccc2C)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is OOKVLNDXOZVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11-5-6-13(12(2)19)9-15(11)18-24(20,21)17-10-14(22-3)7-8-16(17)23-4/h5-10,18H,1-4H3.
What are the key properties of N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).