2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide

C17H20Cl2N2O4S2 — CID 28536185

IUPAC2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O4S2/c1-3-21(4-2)27(24,25)14-10-8-13(9-11-14)12-20-26(22,23)17-15(18)6-5-7-16(17)19/h5-11,20H,3-4,12H2,1-2H3
InChIKeyNSXNXCYBJOQROH-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.50
Rot. Bonds8

About 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide

2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide (PubChem CID 28536185) has the molecular formula C17H20Cl2N2O4S2 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
PubChem CID28536185
Molecular FormulaC17H20Cl2N2O4S2
Molecular Weight451.40 g/mol
Exact Mass450.02
IUPAC Name2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O4S2/c1-3-21(4-2)27(24,25)14-10-8-13(9-11-14)12-20-26(22,23)17-15(18)6-5-7-16(17)19/h5-11,20H,3-4,12H2,1-2H3
InChIKeyNSXNXCYBJOQROH-UHFFFAOYSA-N
XLogP3.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
4-[(2-chloro-4-nitroanilino)methyl]-N,N-diethylbenzenesulfonamide
CID 9030568

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide (CID 28536185) is 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is NSXNXCYBJOQROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4S2/c1-3-21(4-2)27(24,25)14-10-8-13(9-11-14)12-20-26(22,23)17-15(18)6-5-7-16(17)19/h5-11,20H,3-4,12H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 451.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 28536185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).