2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C18H14F6N4O3S — CID 122178257

IUPAC2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCn1cc(S(=O)(=O)c2ccc(N)nc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N4O3S/c1-28-9-14(32(30,31)12-6-7-13(25)26-8-12)27-15(28)10-2-4-11(5-3-10)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H2,25,26)
InChIKeyHKHQNJWCOIIVGW-UHFFFAOYSA-N
MW480.39 g/mol
LogP3.21
Rot. Bonds4

About 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 122178257) has the molecular formula C18H14F6N4O3S and a molecular weight of 480.39 g/mol. Its IUPAC name is 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID122178257
Molecular FormulaC18H14F6N4O3S
Molecular Weight480.39 g/mol
Exact Mass480.07
IUPAC Name2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCn1cc(S(=O)(=O)c2ccc(N)nc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N4O3S/c1-28-9-14(32(30,31)12-6-7-13(25)26-8-12)27-15(28)10-2-4-11(5-3-10)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H2,25,26)
InChIKeyHKHQNJWCOIIVGW-UHFFFAOYSA-N
XLogP3.21
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 122178257) is 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cn1cc(S(=O)(=O)c2ccc(N)nc2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HKHQNJWCOIIVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4O3S/c1-28-9-14(32(30,31)12-6-7-13(25)26-8-12)27-15(28)10-2-4-11(5-3-10)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H2,25,26).
What are the key properties of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 480.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 122178257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).