2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide

C15H16Cl2N2O4S2 — CID 24603139

IUPAC2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)14-9-4-3-6-11(14)10-18-24(20,21)15-12(16)7-5-8-13(15)17/h3-9,18H,10H2,1-2H3
InChIKeyYFPMVLDZRRINHC-UHFFFAOYSA-N
MW423.34 g/mol
LogP2.72
Rot. Bonds6

About 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide

2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide (PubChem CID 24603139) has the molecular formula C15H16Cl2N2O4S2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
PubChem CID24603139
Molecular FormulaC15H16Cl2N2O4S2
Molecular Weight423.34 g/mol
Exact Mass421.99
IUPAC Name2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)14-9-4-3-6-11(14)10-18-24(20,21)15-12(16)7-5-8-13(15)17/h3-9,18H,10H2,1-2H3
InChIKeyYFPMVLDZRRINHC-UHFFFAOYSA-N
XLogP2.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294432
2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
CID 55904290
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
CID 86043324
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
N,N-dimethyl-2-[(3-phenylbutylamino)methyl]benzenesulfonamide
CID 119142078
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
4-(2-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111177782

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide (CID 24603139) is 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YFPMVLDZRRINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)14-9-4-3-6-11(14)10-18-24(20,21)15-12(16)7-5-8-13(15)17/h3-9,18H,10H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 423.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 24603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).