(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol

C17H13ClF3N3O3S2 — CID 122178263

About (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178263) has the molecular formula C17H13ClF3N3O3S2 and a molecular weight of 463.89 g/mol. Its IUPAC name is (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 122178263
• Molecular Formula: C17H13ClF3N3O3S2
• Molecular Weight: 463.89 g/mol
• Exact Mass: 463.00
• IUPAC Name: (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
• SMILES: C[C@](O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F
• InChI: InChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-2-4-11(12(18)6-9)15-24-8-14(28-15)29(26,27)10-3-5-13(22)23-7-10/h2-8,25H,1H3,(H2,22,23)/t16-/m0/s1
• InChIKey: UEFBMKGVQXOXRD-INIZCTEOSA-N
• XLogP: 4.04
• TPSA: 106.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.89
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol (CID 122178263) is (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol.

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

The canonical SMILES for (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F.

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

The InChIKey is UEFBMKGVQXOXRD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-2-4-11(12(18)6-9)15-24-8-14(28-15)29(26,27)10-3-5-13(22)23-7-10/h2-8,25H,1H3,(H2,22,23)/t16-/m0/s1.

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

(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 463.89 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122178263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).