5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

C19H12ClF3N4O3S — CID 10183583

IUPAC5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(Cl)c2)cn1
InChIInChI=1S/C19H12ClF3N4O3S/c20-14-8-11(3-5-13(14)16-2-1-7-30-16)15-9-17(19(21,22)23)26-27(15)12-4-6-18(25-10-12)31(24,28)29/h1-10H,(H2,24,28,29)
InChIKeyCQEWPLWTQVQSLA-UHFFFAOYSA-N
MW468.84 g/mol
LogP4.51
Rot. Bonds4

About 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide (PubChem CID 10183583) has the molecular formula C19H12ClF3N4O3S and a molecular weight of 468.84 g/mol. Its IUPAC name is 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
PubChem CID10183583
Molecular FormulaC19H12ClF3N4O3S
Molecular Weight468.84 g/mol
Exact Mass468.03
IUPAC Name5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(Cl)c2)cn1
InChIInChI=1S/C19H12ClF3N4O3S/c20-14-8-11(3-5-13(14)16-2-1-7-30-16)15-9-17(19(21,22)23)26-27(15)12-4-6-18(25-10-12)31(24,28)29/h1-10H,(H2,24,28,29)
InChIKeyCQEWPLWTQVQSLA-UHFFFAOYSA-N
XLogP4.51
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide (CID 10183583) is 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(Cl)c2)cn1.
What is the InChIKey of 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The InChIKey is CQEWPLWTQVQSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O3S/c20-14-8-11(3-5-13(14)16-2-1-7-30-16)15-9-17(19(21,22)23)26-27(15)12-4-6-18(25-10-12)31(24,28)29/h1-10H,(H2,24,28,29).
What are the key properties of 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide has a molecular weight of 468.84 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 10183583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).