2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide

C13H7Cl3F3NO2S — CID 1068532

IUPAC2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F3NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H
InChIKeyZKLPQUCRYUIAQW-UHFFFAOYSA-N
MW404.62 g/mol
LogP5.47
Rot. Bonds3

About 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 1068532) has the molecular formula C13H7Cl3F3NO2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID1068532
Molecular FormulaC13H7Cl3F3NO2S
Molecular Weight404.62 g/mol
Exact Mass402.92
IUPAC Name2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F3NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H
InChIKeyZKLPQUCRYUIAQW-UHFFFAOYSA-N
XLogP5.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 1068532) is 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ZKLPQUCRYUIAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H.
What are the key properties of 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 404.62 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).