2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene

C8H10Cl2N2O2S — CID 21073

IUPAC2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(Cl)cc1Cl)S(N)(=O)=O
InChIInChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyZGLVYSGVOOIUBG-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.63
Rot. Bonds3

About 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene

2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 21073) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID21073
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC Name2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(Cl)cc1Cl)S(N)(=O)=O
InChIInChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyZGLVYSGVOOIUBG-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 2,4-dichloro-N-methyl-
CID 485424
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
[(2,4-Dichlorophenyl)methyl](methyl)amine hydrochloride
CID 17290678
N-benzyl-N'-(2,4-dichlorobenzyl)sulfamide
CID 1488549
N-(2,4-dichlorobenzyl)-N-methyl-propargylamine
CID 129711419
Benzenemethanamine, 2,6-dichloro-N-propyl-
CID 457601
N-Ethyl-2,4-dichlorobenzylamine
CID 485425
Benzenemethanamine, 2,4-dichloro-N-propyl-
CID 485426
Benzenemethanamine, N-butyl-2,4-dichloro-
CID 485427
Benzenemethanamine, 2,6-dichloro-N-ethyl-
CID 485434
N-(4-Chlorobenzyl)-N-methylsulfamide
CID 4410045
Benzenemethanamine, N-butyl-2,6-dichloro-
CID 485435

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene (CID 21073) is 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene is CN(Cc1ccc(Cl)cc1Cl)S(N)(=O)=O.
What is the InChIKey of 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is ZGLVYSGVOOIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14).
What are the key properties of 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene?
2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 269.15 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 21073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).