3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide

C16H17BrN2O4S — CID 24629283

IUPAC3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)16(20)11-5-4-6-12(9-11)18-24(21,22)13-7-8-15(23-3)14(17)10-13/h4-10,18H,1-3H3
InChIKeyWTSACTYJVVQNSX-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.96
Rot. Bonds5

About 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide

3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24629283) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24629283
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)16(20)11-5-4-6-12(9-11)18-24(21,22)13-7-8-15(23-3)14(17)10-13/h4-10,18H,1-3H3
InChIKeyWTSACTYJVVQNSX-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629318
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24629283) is 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is WTSACTYJVVQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(2)16(20)11-5-4-6-12(9-11)18-24(21,22)13-7-8-15(23-3)14(17)10-13/h4-10,18H,1-3H3.
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide?
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 413.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24629283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).