2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide

C15H15Cl2NO2S — CID 100506147

IUPAC2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-10-12(16)6-9-14(15)17/h4-10H,3H2,1-2H3
InChIKeyWTACYKLSFDLRRT-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.52
Rot. Bonds4

About 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide

2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 100506147) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID100506147
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-10-12(16)6-9-14(15)17/h4-10H,3H2,1-2H3
InChIKeyWTACYKLSFDLRRT-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide (CID 100506147) is 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide is CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is WTACYKLSFDLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-10-12(16)6-9-14(15)17/h4-10H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.52, 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-ethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 100506147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).