4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide

C17H19NO4S — CID 110777550

IUPAC4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
SMILESCOc1c(C)cc(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-11-9-12(2)17(22-4)16(10-11)18-23(20,21)15-7-5-14(6-8-15)13(3)19/h5-10,18H,1-4H3
InChIKeyYVQBDRGZPBEFJT-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.32
Rot. Bonds5

About 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide

4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 110777550) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
PubChem CID110777550
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
SMILESCOc1c(C)cc(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-11-9-12(2)17(22-4)16(10-11)18-23(20,21)15-7-5-14(6-8-15)13(3)19/h5-10,18H,1-4H3
InChIKeyYVQBDRGZPBEFJT-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide (CID 110777550) is 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide is COc1c(C)cc(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is YVQBDRGZPBEFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11-9-12(2)17(22-4)16(10-11)18-23(20,21)15-7-5-14(6-8-15)13(3)19/h5-10,18H,1-4H3.
What are the key properties of 4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide?
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.32, 5 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-3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 110777550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).