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

C18H17FN4O3S — CID 90312656

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1
InChIInChI=1S/C18H17FN4O3S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)27(25,26)23-7-8-24/h1-6,9-11,23-24H,7-8H2,(H2,20,22)
InChIKeyCYVLHESHYFZMRW-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.80
Rot. Bonds6

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

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 90312656) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID90312656
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1
InChIInChI=1S/C18H17FN4O3S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)27(25,26)23-7-8-24/h1-6,9-11,23-24H,7-8H2,(H2,20,22)
InChIKeyCYVLHESHYFZMRW-UHFFFAOYSA-N
XLogP1.80
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 90312656) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CYVLHESHYFZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)27(25,26)23-7-8-24/h1-6,9-11,23-24H,7-8H2,(H2,20,22).
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90312656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).