2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide

C15H16Cl2N2O4S2 — CID 17248785

IUPAC2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)13-6-3-11(4-7-13)10-18-24(20,21)15-9-12(16)5-8-14(15)17/h3-9,18H,10H2,1-2H3
InChIKeyBUAJIMZPRQPPHJ-UHFFFAOYSA-N
MW423.34 g/mol
LogP2.72
Rot. Bonds6

About 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide

2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide (PubChem CID 17248785) has the molecular formula C15H16Cl2N2O4S2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
PubChem CID17248785
Molecular FormulaC15H16Cl2N2O4S2
Molecular Weight423.34 g/mol
Exact Mass421.99
IUPAC Name2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)13-6-3-11(4-7-13)10-18-24(20,21)15-9-12(16)5-8-14(15)17/h3-9,18H,10H2,1-2H3
InChIKeyBUAJIMZPRQPPHJ-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

N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 1355651
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 99951065
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide (CID 17248785) is 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is BUAJIMZPRQPPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S2/c1-19(2)25(22,23)13-6-3-11(4-7-13)10-18-24(20,21)15-9-12(16)5-8-14(15)17/h3-9,18H,10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[4-(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 2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 17248785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).