2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide

C19H14Cl3NO3S — CID 166324500

IUPAC2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C19H14Cl3NO3S/c1-26-16-10-11-17(19(22)18(16)21)27(24,25)23-15-5-3-2-4-14(15)12-6-8-13(20)9-7-12/h2-11,23H,1H3
InChIKeyFNDUCWSBUICSAC-UHFFFAOYSA-N
MW442.75 g/mol
LogP6.12
Rot. Bonds5

About 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide

2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 166324500) has the molecular formula C19H14Cl3NO3S and a molecular weight of 442.75 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID166324500
Molecular FormulaC19H14Cl3NO3S
Molecular Weight442.75 g/mol
Exact Mass440.98
IUPAC Name2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C19H14Cl3NO3S/c1-26-16-10-11-17(19(22)18(16)21)27(24,25)23-15-5-3-2-4-14(15)12-6-8-13(20)9-7-12/h2-11,23H,1H3
InChIKeyFNDUCWSBUICSAC-UHFFFAOYSA-N
XLogP6.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100718396
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide (CID 166324500) is 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is FNDUCWSBUICSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO3S/c1-26-16-10-11-17(19(22)18(16)21)27(24,25)23-15-5-3-2-4-14(15)12-6-8-13(20)9-7-12/h2-11,23H,1H3.
What are the key properties of 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide?
2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 442.75 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 166324500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).