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

C17H13ClF3N3O3S2 — CID 122178261

IUPAC2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F
InChIInChI=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)
InChIKeyUEFBMKGVQXOXRD-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.04
Rot. Bonds4

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

2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178261) has the molecular formula C17H13ClF3N3O3S2 and a molecular weight of 463.89 g/mol. Its IUPAC name is 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID122178261
Molecular FormulaC17H13ClF3N3O3S2
Molecular Weight463.89 g/mol
Exact Mass463.00
IUPAC Name2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F
InChIInChI=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)
InChIKeyUEFBMKGVQXOXRD-UHFFFAOYSA-N
XLogP4.04
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol (CID 122178261) is 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 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 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol?
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 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 122178261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).