6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C24H24F5N5O2S — CID 134344533

IUPAC6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CC(F)F)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H24F5N5O2S/c1-16-5-2-3-6-17(16)23-18(24(27,28)29)9-10-20(30-23)32-37(35,36)22-8-4-7-21(31-22)34-13-11-33(12-14-34)15-19(25)26/h2-10,19H,11-15H2,1H3,(H,30,32)
InChIKeyYOLIWMKJXQALLI-UHFFFAOYSA-N
MW541.55 g/mol
LogP4.66
Rot. Bonds7

About 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134344533) has the molecular formula C24H24F5N5O2S and a molecular weight of 541.55 g/mol. Its IUPAC name is 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134344533
Molecular FormulaC24H24F5N5O2S
Molecular Weight541.55 g/mol
Exact Mass541.16
IUPAC Name6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CC(F)F)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H24F5N5O2S/c1-16-5-2-3-6-17(16)23-18(24(27,28)29)9-10-20(30-23)32-37(35,36)22-8-4-7-21(31-22)34-13-11-33(12-14-34)15-19(25)26/h2-10,19H,11-15H2,1H3,(H,30,32)
InChIKeyYOLIWMKJXQALLI-UHFFFAOYSA-N
XLogP4.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134344533) is 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CC(F)F)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is YOLIWMKJXQALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O2S/c1-16-5-2-3-6-17(16)23-18(24(27,28)29)9-10-20(30-23)32-37(35,36)22-8-4-7-21(31-22)34-13-11-33(12-14-34)15-19(25)26/h2-10,19H,11-15H2,1H3,(H,30,32).
What are the key properties of 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 541.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).