N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide

C13H12BrClN2O2S — CID 106606716

IUPACN-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2S/c14-11-7-10(5-6-12(11)15)20(18,19)17-13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyFXZQEBXDMISRSM-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide

N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106606716) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106606716
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2S/c14-11-7-10(5-6-12(11)15)20(18,19)17-13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyFXZQEBXDMISRSM-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide (CID 106606716) is N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide is NCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is FXZQEBXDMISRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c14-11-7-10(5-6-12(11)15)20(18,19)17-13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2.
What are the key properties of N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide?
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).