2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C13H14Cl2F3NO2S — CID 24651376

IUPAC2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2F3NO2S/c14-9-3-6-11(15)12(7-9)22(20,21)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2
InChIKeyXBKGXIQDBBYIRX-UHFFFAOYSA-N
MW376.23 g/mol
LogP4.39
Rot. Bonds3

About 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 24651376) has the molecular formula C13H14Cl2F3NO2S and a molecular weight of 376.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID24651376
Molecular FormulaC13H14Cl2F3NO2S
Molecular Weight376.23 g/mol
Exact Mass375.01
IUPAC Name2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2F3NO2S/c14-9-3-6-11(15)12(7-9)22(20,21)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2
InChIKeyXBKGXIQDBBYIRX-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 54.39
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-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 24651376) is 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is XBKGXIQDBBYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3NO2S/c14-9-3-6-11(15)12(7-9)22(20,21)19-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,19H,1-2,4-5H2.
What are the key properties of 2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 376.23 g/mol, XLogP of 4.39, 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-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 24651376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).