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

C17H13ClF3N3O3S2 — CID 122178259

IUPAC2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-6-11(18)15(24-7-9)12-3-5-14(28-12)29(26,27)10-2-4-13(22)23-8-10/h2-8,25H,1H3,(H2,22,23)
InChIKeyKMKJDWRQGUEOJR-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.04
Rot. Bonds4

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

2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178259) has the molecular formula C17H13ClF3N3O3S2 and a molecular weight of 463.89 g/mol. Its IUPAC name is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID122178259
Molecular FormulaC17H13ClF3N3O3S2
Molecular Weight463.89 g/mol
Exact Mass463.00
IUPAC Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-6-11(18)15(24-7-9)12-3-5-14(28-12)29(26,27)10-2-4-13(22)23-8-10/h2-8,25H,1H3,(H2,22,23)
InChIKeyKMKJDWRQGUEOJR-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

Analyze 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[(R)-(2-Amino-5-Chloro-3-Fluoropyridin-4-Yl){7-[4-(2-Hydroxypropan-2-Yl)pyridin-2-Yl]-1-Benzothiophen-2-Yl}methyl]cyclopropanesulfonamide
CID 89905551
(2s)-2-(6-{5-[(6-Aminopyridin-3-Yl)sulfonyl]thiophen-2-Yl}-5-Chloropyridin-3-Yl)-1,1,1-Trifluoropropan-2-Ol
CID 76871910
2-(6-(4-((6-Amino-3-pyridinyl)sulfonyl)phenyl)-3-pyridinyl)-1,1,1,3,3,3-hexafluoro-2-propanol
CID 56933051
2-[6-[4-(6-Aminopyridin-3-yl)sulfonylphenyl]-5-prop-1-ynylpyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715077
2-[6-[5-(6-Aminopyridin-3-yl)sulfonylpyridin-2-yl]pyridin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 71715252
2-[4-[(6-Amino-3-pyridinyl)sulfonyl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbonitrile
CID 122178239
4-[2-[4-[(6-Amino-3-pyridinyl)sulfonyl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]-2-methylbut-3-yn-2-ol
CID 122178241
2-[6-[5-[(6-Amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 122178260
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178261
(2R)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178262
(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178263
N-[(R)-(2-amino-5-chloro-4-pyridinyl)-[7-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1-benzothiophen-2-yl]methyl]cyclopropanesulfonamide
CID 127042206

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 122178259) is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cnc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KMKJDWRQGUEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3S2/c1-16(25,17(19,20)21)9-6-11(18)15(24-7-9)12-3-5-14(28-12)29(26,27)10-2-4-13(22)23-8-10/h2-8,25H,1H3,(H2,22,23).
What are the key properties of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-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-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-chloro-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).