3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide

C20H18Cl2N2O4S2 — CID 70911541

IUPAC3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-24(2)30(27,28)18-5-3-4-16(13-18)23-29(25,26)17-9-6-14(7-10-17)19-11-8-15(21)12-20(19)22/h3-13,23H,1-2H3
InChIKeyVUZRXFCTRQYJPH-UHFFFAOYSA-N
MW485.41 g/mol
LogP4.71
Rot. Bonds6

About 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 70911541) has the molecular formula C20H18Cl2N2O4S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID70911541
Molecular FormulaC20H18Cl2N2O4S2
Molecular Weight485.41 g/mol
Exact Mass484.01
IUPAC Name3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-24(2)30(27,28)18-5-3-4-16(13-18)23-29(25,26)17-9-6-14(7-10-17)19-11-8-15(21)12-20(19)22/h3-13,23H,1-2H3
InChIKeyVUZRXFCTRQYJPH-UHFFFAOYSA-N
XLogP4.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
CID 155927046
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
1-N-(4-chloro-2-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31689735
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide (CID 70911541) is 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is VUZRXFCTRQYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S2/c1-24(2)30(27,28)18-5-3-4-16(13-18)23-29(25,26)17-9-6-14(7-10-17)19-11-8-15(21)12-20(19)22/h3-13,23H,1-2H3.
What are the key properties of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide?
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 485.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 70911541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).