N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide

C17H18Br2N2O3S — CID 55334609

IUPACN-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H18Br2N2O3S/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-25(23,24)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyCXECEQKLOMRJQP-UHFFFAOYSA-N
MW490.22 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide

N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55334609) has the molecular formula C17H18Br2N2O3S and a molecular weight of 490.22 g/mol. Its IUPAC name is N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55334609
Molecular FormulaC17H18Br2N2O3S
Molecular Weight490.22 g/mol
Exact Mass487.94
IUPAC NameN-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H18Br2N2O3S/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-25(23,24)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyCXECEQKLOMRJQP-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide 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

N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
CID 55580381
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 26086022
N-[[4-(dimethylamino)phenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55437978
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201
3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide (CID 55334609) is N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is CXECEQKLOMRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O3S/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-25(23,24)16-11-14(18)7-8-15(16)19/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide?
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 490.22 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55334609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).