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

C18H12Cl4N2O4S2 — CID 70137943

IUPAC2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl4N2O4S2/c19-11-5-7-17(13(21)9-11)29(25,26)23-15-3-1-2-4-16(15)24-30(27,28)18-8-6-12(20)10-14(18)22/h1-10,23-24H
InChIKeyNEBOWXZAKONWFG-UHFFFAOYSA-N
MW526.25 g/mol
LogP5.90
Rot. Bonds6

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

2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 70137943) has the molecular formula C18H12Cl4N2O4S2 and a molecular weight of 526.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID70137943
Molecular FormulaC18H12Cl4N2O4S2
Molecular Weight526.25 g/mol
Exact Mass523.90
IUPAC Name2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl4N2O4S2/c19-11-5-7-17(13(21)9-11)29(25,26)23-15-3-1-2-4-16(15)24-30(27,28)18-8-6-12(20)10-14(18)22/h1-10,23-24H
InChIKeyNEBOWXZAKONWFG-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

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Related Compounds

2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2,4-dichloro-N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)benzenesulfonamide
CID 175227931
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 70137943) is 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is NEBOWXZAKONWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O4S2/c19-11-5-7-17(13(21)9-11)29(25,26)23-15-3-1-2-4-16(15)24-30(27,28)18-8-6-12(20)10-14(18)22/h1-10,23-24H.
What are the key properties of 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
2,4-dichloro-N-[2-[(2,4-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 2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 70137943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).