4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide

C17H14F3N5O2S — CID 71711988

IUPAC4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2S/c1-22-28(26,27)12-5-2-10(3-6-12)13-9-24-16(21)15(25-13)11-4-7-14(23-8-11)17(18,19)20/h2-9,22H,1H3,(H2,21,24)
InChIKeyHARBDNRHGGVYDE-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.71
Rot. Bonds4

About 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide

4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide (PubChem CID 71711988) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide
PubChem CID71711988
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC Name4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2S/c1-22-28(26,27)12-5-2-10(3-6-12)13-9-24-16(21)15(25-13)11-4-7-14(23-8-11)17(18,19)20/h2-9,22H,1H3,(H2,21,24)
InChIKeyHARBDNRHGGVYDE-UHFFFAOYSA-N
XLogP2.71
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide (CID 71711988) is 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is HARBDNRHGGVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c1-22-28(26,27)12-5-2-10(3-6-12)13-9-24-16(21)15(25-13)11-4-7-14(23-8-11)17(18,19)20/h2-9,22H,1H3,(H2,21,24).
What are the key properties of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide?
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 409.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 71711988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).