2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol

C18H10ClF2N3O3S — CID 146604379

IUPAC2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol
SMILESO=S(=O)(c1cc(F)cc(F)c1O)n1c(-c2cnccn2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H10ClF2N3O3S/c19-11-1-2-15-10(5-11)6-16(14-9-22-3-4-23-14)24(15)28(26,27)17-8-12(20)7-13(21)18(17)25/h1-9,25H
InChIKeyJZPVEQRGIWIOAX-UHFFFAOYSA-N
MW421.81 g/mol
LogP3.97
Rot. Bonds3

About 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol

2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol (PubChem CID 146604379) has the molecular formula C18H10ClF2N3O3S and a molecular weight of 421.81 g/mol. Its IUPAC name is 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol.

Molecular Properties

Compound Name2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol
PubChem CID146604379
Molecular FormulaC18H10ClF2N3O3S
Molecular Weight421.81 g/mol
Exact Mass421.01
IUPAC Name2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol
SMILESO=S(=O)(c1cc(F)cc(F)c1O)n1c(-c2cnccn2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H10ClF2N3O3S/c19-11-1-2-15-10(5-11)6-16(14-9-22-3-4-23-14)24(15)28(26,27)17-8-12(20)7-13(21)18(17)25/h1-9,25H
InChIKeyJZPVEQRGIWIOAX-UHFFFAOYSA-N
XLogP3.97
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol?
The IUPAC name of 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol (CID 146604379) is 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol.
What is the SMILES notation for 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol?
The canonical SMILES for 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol is O=S(=O)(c1cc(F)cc(F)c1O)n1c(-c2cnccn2)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol?
The InChIKey is JZPVEQRGIWIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3O3S/c19-11-1-2-15-10(5-11)6-16(14-9-22-3-4-23-14)24(15)28(26,27)17-8-12(20)7-13(21)18(17)25/h1-9,25H.
What are the key properties of 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol?
2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol has a molecular weight of 421.81 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyrazin-2-ylindol-1-yl)sulfonyl-4,6-difluorophenol is sourced from PubChem (CID 146604379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).