N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C17H13ClF3N5O3S — CID 167495978

IUPACN-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(Oc2cnc(N)cn2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13ClF3N5O3S/c1-9-4-13(16(25-6-9)29-15-8-23-14(22)7-24-15)26-30(27,28)10-2-3-12(18)11(5-10)17(19,20)21/h2-8,26H,1H3,(H2,22,23)
InChIKeyWODUEFWISNRFEF-UHFFFAOYSA-N
MW459.84 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 167495978) has the molecular formula C17H13ClF3N5O3S and a molecular weight of 459.84 g/mol. Its IUPAC name is N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID167495978
Molecular FormulaC17H13ClF3N5O3S
Molecular Weight459.84 g/mol
Exact Mass459.04
IUPAC NameN-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(Oc2cnc(N)cn2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13ClF3N5O3S/c1-9-4-13(16(25-6-9)29-15-8-23-14(22)7-24-15)26-30(27,28)10-2-3-12(18)11(5-10)17(19,20)21/h2-8,26H,1H3,(H2,22,23)
InChIKeyWODUEFWISNRFEF-UHFFFAOYSA-N
XLogP4.03
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 167495978) is N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide is Cc1cnc(Oc2cnc(N)cn2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WODUEFWISNRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O3S/c1-9-4-13(16(25-6-9)29-15-8-23-14(22)7-24-15)26-30(27,28)10-2-3-12(18)11(5-10)17(19,20)21/h2-8,26H,1H3,(H2,22,23).
What are the key properties of N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 459.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminopyrazin-2-yl)oxy-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167495978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).