2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide

C18H13Cl2F3N4O4S — CID 67401692

IUPAC2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC(c2cccnc2)C(F)(F)F)n1
InChIInChI=1S/C18H13Cl2F3N4O4S/c1-30-13-9-25-16(27-32(28,29)12-6-2-5-11(19)14(12)20)17(26-13)31-15(18(21,22)23)10-4-3-7-24-8-10/h2-9,15H,1H3,(H,25,27)
InChIKeyFVCISHFYEPCYMX-UHFFFAOYSA-N
MW509.29 g/mol
LogP4.67
Rot. Bonds7

About 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide

2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 67401692) has the molecular formula C18H13Cl2F3N4O4S and a molecular weight of 509.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID67401692
Molecular FormulaC18H13Cl2F3N4O4S
Molecular Weight509.29 g/mol
Exact Mass508.00
IUPAC Name2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC(c2cccnc2)C(F)(F)F)n1
InChIInChI=1S/C18H13Cl2F3N4O4S/c1-30-13-9-25-16(27-32(28,29)12-6-2-5-11(19)14(12)20)17(26-13)31-15(18(21,22)23)10-4-3-7-24-8-10/h2-9,15H,1H3,(H,25,27)
InChIKeyFVCISHFYEPCYMX-UHFFFAOYSA-N
XLogP4.67
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide (CID 67401692) is 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide is COc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC(c2cccnc2)C(F)(F)F)n1.
What is the InChIKey of 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is FVCISHFYEPCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N4O4S/c1-30-13-9-25-16(27-32(28,29)12-6-2-5-11(19)14(12)20)17(26-13)31-15(18(21,22)23)10-4-3-7-24-8-10/h2-9,15H,1H3,(H,25,27).
What are the key properties of 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 509.29 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[5-methoxy-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67401692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).