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

C13H12Br2N2O2S — CID 61468511

IUPAC4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H12Br2N2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2
InChIKeyWRANGDMGWBRZNR-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.47
Rot. Bonds4

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

4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide (PubChem CID 61468511) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
PubChem CID61468511
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H12Br2N2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2
InChIKeyWRANGDMGWBRZNR-UHFFFAOYSA-N
XLogP3.47
TPSA72.19 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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(2,5-dibromophenyl)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

4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide (CID 61468511) is 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide?
The InChIKey is WRANGDMGWBRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c14-10-3-6-12(15)13(7-10)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H,8,16H2.
What are the key properties of 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide?
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 61468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).