2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide

C19H16FN5O3S — CID 90314773

IUPAC2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)NCCO)cc1F
InChIInChI=1S/C19H16FN5O3S/c20-15-9-12(5-6-14(15)19-16(10-21)25-18(22)11-23-19)13-3-1-2-4-17(13)29(27,28)24-7-8-26/h1-6,9,11,24,26H,7-8H2,(H2,22,25)
InChIKeyIPXGDOKSFUWCCU-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide

2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 90314773) has the molecular formula C19H16FN5O3S and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID90314773
Molecular FormulaC19H16FN5O3S
Molecular Weight413.43 g/mol
Exact Mass413.10
IUPAC Name2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)NCCO)cc1F
InChIInChI=1S/C19H16FN5O3S/c20-15-9-12(5-6-14(15)19-16(10-21)25-18(22)11-23-19)13-3-1-2-4-17(13)29(27,28)24-7-8-26/h1-6,9,11,24,26H,7-8H2,(H2,22,25)
InChIKeyIPXGDOKSFUWCCU-UHFFFAOYSA-N
XLogP1.67
TPSA141.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 90314773) is 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)NCCO)cc1F.
What is the InChIKey of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IPXGDOKSFUWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3S/c20-15-9-12(5-6-14(15)19-16(10-21)25-18(22)11-23-19)13-3-1-2-4-17(13)29(27,28)24-7-8-26/h1-6,9,11,24,26H,7-8H2,(H2,22,25).
What are the key properties of 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 413.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90314773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).