3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C14H14Cl2N2O2S — CID 43606048

IUPAC3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyZJHJKYAOVJAGSK-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.51
Rot. Bonds5

About 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 43606048) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID43606048
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyZJHJKYAOVJAGSK-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

3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 43606048) is 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is ZJHJKYAOVJAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-12(15)13(16)8-11/h2-8,17-18H,9H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
3,4-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 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43606048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).