3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide

C14H14Cl2N2O2S — CID 106061900

IUPAC3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-6-7-11(8-13(10)16)21(19,20)18-14-5-3-2-4-12(14)15/h2-8,17-18H,9H2,1H3
InChIKeySUZGHWDYATUVDT-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.51
Rot. Bonds5

About 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide

3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106061900) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106061900
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-17-9-10-6-7-11(8-13(10)16)21(19,20)18-14-5-3-2-4-12(14)15/h2-8,17-18H,9H2,1H3
InChIKeySUZGHWDYATUVDT-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

3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide (CID 106061900) is 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SUZGHWDYATUVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-17-9-10-6-7-11(8-13(10)16)21(19,20)18-14-5-3-2-4-12(14)15/h2-8,17-18H,9H2,1H3.
What are the key properties of 3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)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-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106061900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).