2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide

C15H11Cl4NO2S — CID 100507490

IUPAC2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO2S/c1-2-7-20(14-8-10(16)3-5-12(14)18)23(21,22)15-9-11(17)4-6-13(15)19/h2-6,8-9H,1,7H2
InChIKeyLWPSHCJUICKTIN-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.68
Rot. Bonds5

About 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide

2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 100507490) has the molecular formula C15H11Cl4NO2S and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID100507490
Molecular FormulaC15H11Cl4NO2S
Molecular Weight411.14 g/mol
Exact Mass408.93
IUPAC Name2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO2S/c1-2-7-20(14-8-10(16)3-5-12(14)18)23(21,22)15-9-11(17)4-6-13(15)19/h2-6,8-9H,1,7H2
InChIKeyLWPSHCJUICKTIN-UHFFFAOYSA-N
XLogP5.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517325
N-(4-bromo-3-methylphenyl)-2,5-dichloro-N-prop-2-enylbenzenesulfonamide
CID 100508195
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
2,5-dichloro-N-methyl-N-prop-2-enylaniline
CID 130605525
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
CID 50893609
N-(5-chloro-2-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517814
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
CID 26683589

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide (CID 100507490) is 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is LWPSHCJUICKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO2S/c1-2-7-20(14-8-10(16)3-5-12(14)18)23(21,22)15-9-11(17)4-6-13(15)19/h2-6,8-9H,1,7H2.
What are the key properties of 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide?
2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 411.14 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100507490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).