5-(3-acetylphenyl)-2-methoxybenzenesulfonamide

C15H15NO4S — CID 134424297

IUPAC5-(3-acetylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15NO4S/c1-10(17)11-4-3-5-12(8-11)13-6-7-14(20-2)15(9-13)21(16,18)19/h3-9H,1-2H3,(H2,16,18,19)
InChIKeySZUFWKSQIMZAPF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.21
Rot. Bonds4

About 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide

5-(3-acetylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 134424297) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(3-acetylphenyl)-2-methoxybenzenesulfonamide
PubChem CID134424297
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-(3-acetylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15NO4S/c1-10(17)11-4-3-5-12(8-11)13-6-7-14(20-2)15(9-13)21(16,18)19/h3-9H,1-2H3,(H2,16,18,19)
InChIKeySZUFWKSQIMZAPF-UHFFFAOYSA-N
XLogP2.21
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
3-[3-[(1S)-1-iodoethyl]sulfonyl-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 145204144
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
5-acetyl-2-methoxybenzenesulfonamide;N-benzyl-2-(2-methoxyphenoxy)ethanamine
CID 23347189
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 158055999
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
4-(3-acetylphenyl)benzenediazonium
CID 175218117
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide (CID 134424297) is 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide is COc1ccc(-c2cccc(C(C)=O)c2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is SZUFWKSQIMZAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10(17)11-4-3-5-12(8-11)13-6-7-14(20-2)15(9-13)21(16,18)19/h3-9H,1-2H3,(H2,16,18,19).
What are the key properties of 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide?
5-(3-acetylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 134424297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).