N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

C17H19NO4S — CID 95969889

IUPACN-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c(C)c1C
InChIInChI=1S/C17H19NO4S/c1-11-12(2)17(9-8-16(11)22-4)23(20,21)18-15-7-5-6-14(10-15)13(3)19/h5-10,18H,1-4H3
InChIKeyCJGHZHAHBRTICD-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.32
Rot. Bonds5

About N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 95969889) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID95969889
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c(C)c1C
InChIInChI=1S/C17H19NO4S/c1-11-12(2)17(9-8-16(11)22-4)23(20,21)18-15-7-5-6-14(10-15)13(3)19/h5-10,18H,1-4H3
InChIKeyCJGHZHAHBRTICD-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-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490419
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
(3-acetylphenyl)sulfamic acid
CID 12629151
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 95969889) is N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c(C)c1C.
What is the InChIKey of N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is CJGHZHAHBRTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11-12(2)17(9-8-16(11)22-4)23(20,21)18-15-7-5-6-14(10-15)13(3)19/h5-10,18H,1-4H3.
What are the key properties of N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide 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 N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 95969889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).