2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C24H23F6N5O5S2 — CID 118709638

IUPAC2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cc1
InChIInChI=1S/C24H23F6N5O5S2/c1-41(37,38)17-4-2-15(3-5-17)19-12-16(22(36,23(25,26)27)24(28,29)30)13-33-21(19)34-8-10-35(11-9-34)42(39,40)18-6-7-20(31)32-14-18/h2-7,12-14,36H,8-11H2,1H3,(H2,31,32)
InChIKeyDQCSAQAYLJJUSA-UHFFFAOYSA-N
MW639.60 g/mol
LogP2.95
Rot. Bonds6

About 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118709638) has the molecular formula C24H23F6N5O5S2 and a molecular weight of 639.60 g/mol. Its IUPAC name is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118709638
Molecular FormulaC24H23F6N5O5S2
Molecular Weight639.60 g/mol
Exact Mass639.10
IUPAC Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cc1
InChIInChI=1S/C24H23F6N5O5S2/c1-41(37,38)17-4-2-15(3-5-17)19-12-16(22(36,23(25,26)27)24(28,29)30)13-33-21(19)34-8-10-35(11-9-34)42(39,40)18-6-7-20(31)32-14-18/h2-7,12-14,36H,8-11H2,1H3,(H2,31,32)
InChIKeyDQCSAQAYLJJUSA-UHFFFAOYSA-N
XLogP2.95
TPSA146.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118709638) is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CS(=O)(=O)c1ccc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cc1.
What is the InChIKey of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DQCSAQAYLJJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N5O5S2/c1-41(37,38)17-4-2-15(3-5-17)19-12-16(22(36,23(25,26)27)24(28,29)30)13-33-21(19)34-8-10-35(11-9-34)42(39,40)18-6-7-20(31)32-14-18/h2-7,12-14,36H,8-11H2,1H3,(H2,31,32).
What are the key properties of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 639.60 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylsulfonylphenyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118709638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).