2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C19H18F3N5O3S — CID 122178242

IUPAC2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCNc1nc(S(=O)(=O)c2ccc(N)nc2)ccc1-c1ccc(C(C)(O)C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O3S/c1-18(28,19(20,21)22)11-3-6-14(25-9-11)13-5-8-16(27-17(13)24-2)31(29,30)12-4-7-15(23)26-10-12/h3-10,28H,1-2H3,(H2,23,26)(H,24,27)
InChIKeyUENQSWPRHPUNQA-UHFFFAOYSA-N
MW453.45 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178242) has the molecular formula C19H18F3N5O3S and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID122178242
Molecular FormulaC19H18F3N5O3S
Molecular Weight453.45 g/mol
Exact Mass453.11
IUPAC Name2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCNc1nc(S(=O)(=O)c2ccc(N)nc2)ccc1-c1ccc(C(C)(O)C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O3S/c1-18(28,19(20,21)22)11-3-6-14(25-9-11)13-5-8-16(27-17(13)24-2)31(29,30)12-4-7-15(23)26-10-12/h3-10,28H,1-2H3,(H2,23,26)(H,24,27)
InChIKeyUENQSWPRHPUNQA-UHFFFAOYSA-N
XLogP2.77
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 122178242) is 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is CNc1nc(S(=O)(=O)c2ccc(N)nc2)ccc1-c1ccc(C(C)(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UENQSWPRHPUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S/c1-18(28,19(20,21)22)11-3-6-14(25-9-11)13-5-8-16(27-17(13)24-2)31(29,30)12-4-7-15(23)26-10-12/h3-10,28H,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 453.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[(6-amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122178242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).