2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide

C13H9Cl4NO2S — CID 100507274

IUPAC2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl4NO2S/c1-18(11-5-9(15)4-10(16)6-11)21(19,20)13-7-8(14)2-3-12(13)17/h2-7H,1H3
InChIKeyLQUDBIBOPNCZHS-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.13
Rot. Bonds3

About 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide

2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide (PubChem CID 100507274) has the molecular formula C13H9Cl4NO2S and a molecular weight of 385.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
PubChem CID100507274
Molecular FormulaC13H9Cl4NO2S
Molecular Weight385.10 g/mol
Exact Mass382.91
IUPAC Name2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl4NO2S/c1-18(11-5-9(15)4-10(16)6-11)21(19,20)13-7-8(14)2-3-12(13)17/h2-7H,1H3
InChIKeyLQUDBIBOPNCZHS-UHFFFAOYSA-N
XLogP5.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
ethyl 2-chloro-4-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509678
2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
CID 100507646
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
CID 62001628
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide (CID 100507274) is 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide is CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is LQUDBIBOPNCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4NO2S/c1-18(11-5-9(15)4-10(16)6-11)21(19,20)13-7-8(14)2-3-12(13)17/h2-7H,1H3.
What are the key properties of 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide?
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 385.10 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 100507274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).