N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide

C15H17BrN2O2S — CID 61414020

IUPACN-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-17-10-12-6-8-14(9-7-12)21(19,20)18-11-13-4-2-3-5-15(13)16/h2-9,17-18H,10-11H2,1H3
InChIKeyJWFXUPJIOBYAID-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide

N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 61414020) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
PubChem CID61414020
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-17-10-12-6-8-14(9-7-12)21(19,20)18-11-13-4-2-3-5-15(13)16/h2-9,17-18H,10-11H2,1H3
InChIKeyJWFXUPJIOBYAID-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)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-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
1-[4-[(2-bromophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 171778499
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide (CID 61414020) is N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is JWFXUPJIOBYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-17-10-12-6-8-14(9-7-12)21(19,20)18-11-13-4-2-3-5-15(13)16/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 61414020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).