2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol

C18H15F3N2O3S2 — CID 122178254

About 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol

2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178254) has the molecular formula C18H15F3N2O3S2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 122178254
• Molecular Formula: C18H15F3N2O3S2
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.05
• IUPAC Name: 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
• SMILES: CC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)s2)cc1)C(F)(F)F
• InChI: InChI=1S/C18H15F3N2O3S2/c1-17(24,18(19,20)21)12-4-2-11(3-5-12)14-7-9-16(27-14)28(25,26)13-6-8-15(22)23-10-13/h2-10,24H,1H3,(H2,22,23)
• InChIKey: ZFFCSBWPPVKQSW-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 122178254) is 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)s2)cc1)C(F)(F)F.

What is the InChIKey of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is ZFFCSBWPPVKQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S2/c1-17(24,18(19,20)21)12-4-2-11(3-5-12)14-7-9-16(27-14)28(25,26)13-6-8-15(22)23-10-13/h2-10,24H,1H3,(H2,22,23).

What are the key properties of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?

2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 428.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122178254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).