5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide

C16H17NO4S — CID 15922038

IUPAC5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-11-13(9-10-14(15)21-3)16(18)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyOFQHGWCMPOUUDD-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.18
Rot. Bonds5

About 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide

5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 15922038) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID15922038
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-11-13(9-10-14(15)21-3)16(18)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyOFQHGWCMPOUUDD-UHFFFAOYSA-N
XLogP2.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109
5-benzoyl-2-methoxybenzenesulfonoperoxoic acid
CID 18779398
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 15922038) is 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is OFQHGWCMPOUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-17(2)22(19,20)15-11-13(9-10-14(15)21-3)16(18)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 15922038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).