5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide

C20H12ClF3N4O2S2 — CID 57468902

IUPAC5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)s1
InChIInChI=1S/C20H12ClF3N4O2S2/c21-13-3-1-11(2-4-13)14-10-17(20(22,23)24)28-19(27-14)12-7-8-26-15(9-12)16-5-6-18(31-16)32(25,29)30/h1-10H,(H2,25,29,30)
InChIKeyABQHHALHWKAWRB-UHFFFAOYSA-N
MW496.92 g/mol
LogP5.25
Rot. Bonds4

About 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide

5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 57468902) has the molecular formula C20H12ClF3N4O2S2 and a molecular weight of 496.92 g/mol. Its IUPAC name is 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID57468902
Molecular FormulaC20H12ClF3N4O2S2
Molecular Weight496.92 g/mol
Exact Mass496.00
IUPAC Name5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)s1
InChIInChI=1S/C20H12ClF3N4O2S2/c21-13-3-1-11(2-4-13)14-10-17(20(22,23)24)28-19(27-14)12-7-8-26-15(9-12)16-5-6-18(31-16)32(25,29)30/h1-10H,(H2,25,29,30)
InChIKeyABQHHALHWKAWRB-UHFFFAOYSA-N
XLogP5.25
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.92
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide (CID 57468902) is 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)s1.
What is the InChIKey of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is ABQHHALHWKAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2S2/c21-13-3-1-11(2-4-13)14-10-17(20(22,23)24)28-19(27-14)12-7-8-26-15(9-12)16-5-6-18(31-16)32(25,29)30/h1-10H,(H2,25,29,30).
What are the key properties of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide?
5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 496.92 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 57468902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).