4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide

C17H19N3O4S — CID 110676906

IUPAC4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H19N3O4S/c1-12(21)18-14-5-4-6-15(11-14)19-25(23,24)16-9-7-13(8-10-16)17(22)20(2)3/h4-11,19H,1-3H3,(H,18,21)
InChIKeyLIEMYEGVLLIGHF-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.15
Rot. Bonds5

About 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide

4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 110676906) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID110676906
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H19N3O4S/c1-12(21)18-14-5-4-6-15(11-14)19-25(23,24)16-9-7-13(8-10-16)17(22)20(2)3/h4-11,19H,1-3H3,(H,18,21)
InChIKeyLIEMYEGVLLIGHF-UHFFFAOYSA-N
XLogP2.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide
CID 110314496
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 1306752
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637

Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide (CID 110676906) is 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is LIEMYEGVLLIGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12(21)18-14-5-4-6-15(11-14)19-25(23,24)16-9-7-13(8-10-16)17(22)20(2)3/h4-11,19H,1-3H3,(H,18,21).
What are the key properties of 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide?
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110676906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).