3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C12H7Cl2F3N2O2S — CID 44586063

IUPAC3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-8-3-9(14)5-10(4-8)22(20,21)19-11-2-1-7(6-18-11)12(15,16)17/h1-6H,(H,18,19)
InChIKeyWOBPWPWDPJIIST-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.21
Rot. Bonds3

About 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 44586063) has the molecular formula C12H7Cl2F3N2O2S and a molecular weight of 371.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID44586063
Molecular FormulaC12H7Cl2F3N2O2S
Molecular Weight371.17 g/mol
Exact Mass369.96
IUPAC Name3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-8-3-9(14)5-10(4-8)22(20,21)19-11-2-1-7(6-18-11)12(15,16)17/h1-6H,(H,18,19)
InChIKeyWOBPWPWDPJIIST-UHFFFAOYSA-N
XLogP4.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 44586063) is 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WOBPWPWDPJIIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2S/c13-8-3-9(14)5-10(4-8)22(20,21)19-11-2-1-7(6-18-11)12(15,16)17/h1-6H,(H,18,19).
What are the key properties of 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 371.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 44586063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).