3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide

C13H11BrCl2N2O2S — CID 106061184

IUPAC3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2Br)c1Cl
InChIInChI=1S/C13H11BrCl2N2O2S/c14-10-3-1-2-4-11(10)18-21(19,20)12-6-9(15)5-8(7-17)13(12)16/h1-6,18H,7,17H2
InChIKeyHKFUDZCDZJGUEH-UHFFFAOYSA-N
MW410.12 g/mol
LogP4.02
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide

3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 106061184) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID106061184
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC Name3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2Br)c1Cl
InChIInChI=1S/C13H11BrCl2N2O2S/c14-10-3-1-2-4-11(10)18-21(19,20)12-6-9(15)5-8(7-17)13(12)16/h1-6,18H,7,17H2
InChIKeyHKFUDZCDZJGUEH-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
CID 106030300
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
N-(3-bromo-2,4-difluorophenyl)-2,5-dichloro-3-(hydroxymethyl)benzenesulfonamide
CID 176863719
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
3-(aminomethyl)-2,5-dichloro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089456
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide (CID 106061184) is 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2Br)c1Cl.
What is the InChIKey of 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is HKFUDZCDZJGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c14-10-3-1-2-4-11(10)18-21(19,20)12-6-9(15)5-8(7-17)13(12)16/h1-6,18H,7,17H2.
What are the key properties of 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide?
3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 410.12 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 106061184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).