2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide

C15H14Cl3NO2S — CID 100507726

IUPAC2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S/c1-3-19(14-7-5-11(16)8-10(14)2)22(20,21)15-9-12(17)4-6-13(15)18/h4-9H,3H2,1-2H3
InChIKeyPCUIUMZMZPJJGE-UHFFFAOYSA-N
MW378.71 g/mol
LogP5.17
Rot. Bonds4

About 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide (PubChem CID 100507726) has the molecular formula C15H14Cl3NO2S and a molecular weight of 378.71 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide
PubChem CID100507726
Molecular FormulaC15H14Cl3NO2S
Molecular Weight378.71 g/mol
Exact Mass376.98
IUPAC Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S/c1-3-19(14-7-5-11(16)8-10(14)2)22(20,21)15-9-12(17)4-6-13(15)18/h4-9H,3H2,1-2H3
InChIKeyPCUIUMZMZPJJGE-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668802
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728
2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394
2,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 24465010
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100506092
2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 100506147
2,5-dichloro-N-(2-chlorophenyl)-N-ethylbenzenesulfonamide
CID 100506544
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507739
2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide
CID 100508409
2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide
CID 164613044
2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide
CID 164614626
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 164615534

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide (CID 100507726) is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide is CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide?
The InChIKey is PCUIUMZMZPJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S/c1-3-19(14-7-5-11(16)8-10(14)2)22(20,21)15-9-12(17)4-6-13(15)18/h4-9H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide has a molecular weight of 378.71 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 100507726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).