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

C24H26F3N5O3S — CID 134306400

IUPAC6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CCO)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-17-5-2-3-6-18(17)23-19(24(25,26)27)9-10-20(28-23)30-36(34,35)22-8-4-7-21(29-22)32-13-11-31(12-14-32)15-16-33/h2-10,33H,11-16H2,1H3,(H,28,30)
InChIKeyANRVWGXJZNGNFD-UHFFFAOYSA-N
MW521.57 g/mol
LogP3.39
Rot. Bonds7

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

6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306400) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306400
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CCO)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-17-5-2-3-6-18(17)23-19(24(25,26)27)9-10-20(28-23)30-36(34,35)22-8-4-7-21(29-22)32-13-11-31(12-14-32)15-16-33/h2-10,33H,11-16H2,1H3,(H,28,30)
InChIKeyANRVWGXJZNGNFD-UHFFFAOYSA-N
XLogP3.39
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306400) is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(CCO)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is ANRVWGXJZNGNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-17-5-2-3-6-18(17)23-19(24(25,26)27)9-10-20(28-23)30-36(34,35)22-8-4-7-21(29-22)32-13-11-31(12-14-32)15-16-33/h2-10,33H,11-16H2,1H3,(H,28,30).
What are the key properties of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 521.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).