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

C18H14Cl2N2O4S2 — CID 45138636

IUPAC3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C18H14Cl2N2O4S2/c19-13-6-9-17(18(20)10-13)12-4-7-15(8-5-12)28(25,26)22-14-2-1-3-16(11-14)27(21,23)24/h1-11,22H,(H2,21,23,24)
InChIKeyAQTQXTPLMSHXAF-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.11
Rot. Bonds5

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

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 45138636) has the molecular formula C18H14Cl2N2O4S2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID45138636
Molecular FormulaC18H14Cl2N2O4S2
Molecular Weight457.36 g/mol
Exact Mass455.98
IUPAC Name3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C18H14Cl2N2O4S2/c19-13-6-9-17(18(20)10-13)12-4-7-15(8-5-12)28(25,26)22-14-2-1-3-16(11-14)27(21,23)24/h1-11,22H,(H2,21,23,24)
InChIKeyAQTQXTPLMSHXAF-UHFFFAOYSA-N
XLogP4.11
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
CID 155927046
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide (CID 45138636) is 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is AQTQXTPLMSHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4S2/c19-13-6-9-17(18(20)10-13)12-4-7-15(8-5-12)28(25,26)22-14-2-1-3-16(11-14)27(21,23)24/h1-11,22H,(H2,21,23,24).
What are the key properties of 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide?
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 457.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 45138636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).