N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide

C14H14Br2N2O2S — CID 62949723

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c15-12-5-6-13(16)14(7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2
InChIKeyXNCXRXZNULJXKZ-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.15
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide (PubChem CID 62949723) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
PubChem CID62949723
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c15-12-5-6-13(16)14(7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2
InChIKeyXNCXRXZNULJXKZ-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828953
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 47319256
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide (CID 62949723) is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide is NCc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide?
The InChIKey is XNCXRXZNULJXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c15-12-5-6-13(16)14(7-12)21(19,20)18-9-11-4-2-1-3-10(11)8-17/h1-7,18H,8-9,17H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 62949723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).