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

C18H17FN4O2S — CID 137395613

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)NCCO)cc2F)cn1
InChIInChI=1S/C18H17FN4O2S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)26(25)23-7-8-24/h1-6,9-11,23-24H,7-8H2,(H2,20,22)
InChIKeyORCUFYAWOUQLNN-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.14
Rot. Bonds6

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

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide (PubChem CID 137395613) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
PubChem CID137395613
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)NCCO)cc2F)cn1
InChIInChI=1S/C18H17FN4O2S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)26(25)23-7-8-24/h1-6,9-11,23-24H,7-8H2,(H2,20,22)
InChIKeyORCUFYAWOUQLNN-UHFFFAOYSA-N
XLogP2.14
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfinamide
CID 138711929
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfinamide
CID 144679063
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfinamide
CID 137395950
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
CID 138711674
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395622
5-[2-fluoro-4-(2-thiomorpholin-4-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395844
N-[5-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfinylamino]hexyl]-N-ethylformamide
CID 138711534
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
S-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]methyl] ethanethioate
CID 131733122
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]hexane-1-sulfinamide
CID 137395916
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide (CID 137395613) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)NCCO)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide?
The InChIKey is ORCUFYAWOUQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-15-9-12(5-6-14(15)16-10-22-18(20)11-21-16)13-3-1-2-4-17(13)26(25)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)benzenesulfinamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide has a molecular weight of 372.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide is sourced from PubChem (CID 137395613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).