2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide

C18H12Cl4N2O4S2 — CID 4118889

IUPAC2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl4N2O4S2/c19-11-1-7-15(21)17(9-11)29(25,26)23-13-3-5-14(6-4-13)24-30(27,28)18-10-12(20)2-8-16(18)22/h1-10,23-24H
InChIKeyJQNTWQGDPIZACY-UHFFFAOYSA-N
MW526.25 g/mol
LogP5.90
Rot. Bonds6

About 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide

2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 4118889) has the molecular formula C18H12Cl4N2O4S2 and a molecular weight of 526.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID4118889
Molecular FormulaC18H12Cl4N2O4S2
Molecular Weight526.25 g/mol
Exact Mass523.90
IUPAC Name2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl4N2O4S2/c19-11-1-7-15(21)17(9-11)29(25,26)23-13-3-5-14(6-4-13)24-30(27,28)18-10-12(20)2-8-16(18)22/h1-10,23-24H
InChIKeyJQNTWQGDPIZACY-UHFFFAOYSA-N
XLogP5.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.25
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 4118889) is 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is JQNTWQGDPIZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O4S2/c19-11-1-7-15(21)17(9-11)29(25,26)23-13-3-5-14(6-4-13)24-30(27,28)18-10-12(20)2-8-16(18)22/h1-10,23-24H.
What are the key properties of 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 526.25 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 4118889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).