2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C14H14Cl2N2O2S — CID 43606052

IUPAC2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-13(10)18-21(19,20)14-8-11(15)6-7-12(14)16/h2-8,17-18H,9H2,1H3
InChIKeyLYOALQZQJJGFMX-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.51
Rot. Bonds5

About 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 43606052) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID43606052
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-13(10)18-21(19,20)14-8-11(15)6-7-12(14)16/h2-8,17-18H,9H2,1H3
InChIKeyLYOALQZQJJGFMX-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 43606052) is 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is LYOALQZQJJGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-13(10)18-21(19,20)14-8-11(15)6-7-12(14)16/h2-8,17-18H,9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43606052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).