6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C15H8Cl2F4N4O2S — CID 142662120

IUPAC6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c(Cl)cc2Cl)nc1
InChIInChI=1S/C15H8Cl2F4N4O2S/c16-9-4-10(17)11(18)3-8(9)12-5-13(15(19,20)21)24-25(12)14-2-1-7(6-23-14)28(22,26)27/h1-6H,(H2,22,26,27)
InChIKeyHCSIZCWSACLSNT-UHFFFAOYSA-N
MW455.22 g/mol
LogP4.05
Rot. Bonds3

About 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 142662120) has the molecular formula C15H8Cl2F4N4O2S and a molecular weight of 455.22 g/mol. Its IUPAC name is 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID142662120
Molecular FormulaC15H8Cl2F4N4O2S
Molecular Weight455.22 g/mol
Exact Mass453.97
IUPAC Name6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c(Cl)cc2Cl)nc1
InChIInChI=1S/C15H8Cl2F4N4O2S/c16-9-4-10(17)11(18)3-8(9)12-5-13(15(19,20)21)24-25(12)14-2-1-7(6-23-14)28(22,26)27/h1-6H,(H2,22,26,27)
InChIKeyHCSIZCWSACLSNT-UHFFFAOYSA-N
XLogP4.05
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 142662120) is 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c(Cl)cc2Cl)nc1.
What is the InChIKey of 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is HCSIZCWSACLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F4N4O2S/c16-9-4-10(17)11(18)3-8(9)12-5-13(15(19,20)21)24-25(12)14-2-1-7(6-23-14)28(22,26)27/h1-6H,(H2,22,26,27).
What are the key properties of 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 455.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,4-dichloro-5-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 142662120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).