N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide

C13H12Br2N2O2S — CID 63254135

IUPACN-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H12Br2N2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H,8,16H2
InChIKeyKOUNYOOAVRPMKS-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.47
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide

N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide (PubChem CID 63254135) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
PubChem CID63254135
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC NameN-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H12Br2N2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H,8,16H2
InChIKeyKOUNYOOAVRPMKS-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 N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide 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-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide (CID 63254135) is N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide is NCc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide?
The InChIKey is KOUNYOOAVRPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H,8,16H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide?
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide 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 N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 63254135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).