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

C24H25F3N6O3S — CID 134306699

IUPAC6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H25F3N6O3S/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28/h2-10H,11-15,28H2,1H3,(H,29,31)
InChIKeyJUFGFDMWFOXCOX-UHFFFAOYSA-N
MW534.56 g/mol
LogP2.88
Rot. Bonds6

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

6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306699) has the molecular formula C24H25F3N6O3S and a molecular weight of 534.56 g/mol. Its IUPAC name is 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306699
Molecular FormulaC24H25F3N6O3S
Molecular Weight534.56 g/mol
Exact Mass534.17
IUPAC Name6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C24H25F3N6O3S/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28/h2-10H,11-15,28H2,1H3,(H,29,31)
InChIKeyJUFGFDMWFOXCOX-UHFFFAOYSA-N
XLogP2.88
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306699) is 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is JUFGFDMWFOXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3S/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28/h2-10H,11-15,28H2,1H3,(H,29,31).
What are the key properties of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 534.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).