2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide

C15H14Cl3NO3S — CID 100507622

IUPAC2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO3S/c1-3-19(13-8-10(16)5-7-14(13)22-2)23(20,21)15-9-11(17)4-6-12(15)18/h4-9H,3H2,1-2H3
InChIKeyNKOBBVWYJULXEY-UHFFFAOYSA-N
MW394.71 g/mol
LogP4.87
Rot. Bonds5

About 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide (PubChem CID 100507622) has the molecular formula C15H14Cl3NO3S and a molecular weight of 394.71 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
PubChem CID100507622
Molecular FormulaC15H14Cl3NO3S
Molecular Weight394.71 g/mol
Exact Mass392.98
IUPAC Name2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO3S/c1-3-19(13-8-10(16)5-7-14(13)22-2)23(20,21)15-9-11(17)4-6-12(15)18/h4-9H,3H2,1-2H3
InChIKeyNKOBBVWYJULXEY-UHFFFAOYSA-N
XLogP4.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.71
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
CID 100507646
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773
2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 42979737
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100508845
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide (CID 100507622) is 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide is CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide?
The InChIKey is NKOBBVWYJULXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO3S/c1-3-19(13-8-10(16)5-7-14(13)22-2)23(20,21)15-9-11(17)4-6-12(15)18/h4-9H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide has a molecular weight of 394.71 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 100507622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).