2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide

C17H20BrN3O3S — CID 2347642

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(2)12-11-19-17(22)15-5-3-4-6-16(15)20-25(23,24)14-9-7-13(18)8-10-14/h3-10,20H,11-12H2,1-2H3,(H,19,22)
InChIKeyNTLVVOOHFSLTTE-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.54
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide

2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 2347642) has the molecular formula C17H20BrN3O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID2347642
Molecular FormulaC17H20BrN3O3S
Molecular Weight426.34 g/mol
Exact Mass425.04
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(2)12-11-19-17(22)15-5-3-4-6-16(15)20-25(23,24)14-9-7-13(18)8-10-14/h3-10,20H,11-12H2,1-2H3,(H,19,22)
InChIKeyNTLVVOOHFSLTTE-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide 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

2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide (CID 2347642) is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is NTLVVOOHFSLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S/c1-21(2)12-11-19-17(22)15-5-3-4-6-16(15)20-25(23,24)14-9-7-13(18)8-10-14/h3-10,20H,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 426.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 2347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).