N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide

C13H12Br2N2O2S — CID 61468471

IUPACN-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H12Br2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3
InChIKeyTWRLFJHREVWVOI-UHFFFAOYSA-N
MW420.13 g/mol
LogP4.05
Rot. Bonds4

About N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide

N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 61468471) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
PubChem CID61468471
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC NameN-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H12Br2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3
InChIKeyTWRLFJHREVWVOI-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide 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-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 169370073
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide (CID 61468471) is N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is TWRLFJHREVWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3.
What are the key properties of N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide?
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 61468471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).