2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide

C21H16FN5OS — CID 138711674

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)Nc3cccnc3)cc2F)cn1
InChIInChI=1S/C21H16FN5OS/c22-18-10-14(7-8-17(18)19-12-26-21(23)13-25-19)16-5-1-2-6-20(16)29(28)27-15-4-3-9-24-11-15/h1-13,27H,(H2,23,26)
InChIKeyQAEVLCZJZAWEDS-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide (PubChem CID 138711674) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
PubChem CID138711674
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)Nc3cccnc3)cc2F)cn1
InChIInChI=1S/C21H16FN5OS/c22-18-10-14(7-8-17(18)19-12-26-21(23)13-25-19)16-5-1-2-6-20(16)29(28)27-15-4-3-9-24-11-15/h1-13,27H,(H2,23,26)
InChIKeyQAEVLCZJZAWEDS-UHFFFAOYSA-N
XLogP4.06
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-{[(4-Fluoro-phenyl)-methyl-amino]-methyl}-phenyl)-pyrazin-2-yl]-2-trifluoromethyl-benzenesulfonamide
CID 57444239
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
5-[4-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
CID 76899981
5-{2'-[(3,3-Difluoropiperidin-1-yl)sulfonyl]-3-fluorobiphenyl-4-yl}pyrazin-2-amine
CID 77844190
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 77844455
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-1,1-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844456
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 77844516

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide (CID 138711674) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)Nc3cccnc3)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide?
The InChIKey is QAEVLCZJZAWEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c22-18-10-14(7-8-17(18)19-12-26-21(23)13-25-19)16-5-1-2-6-20(16)29(28)27-15-4-3-9-24-11-15/h1-13,27H,(H2,23,26).
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide has a molecular weight of 405.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 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-pyridin-3-ylbenzenesulfinamide is sourced from PubChem (CID 138711674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).