4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide

C19H17FN4O3S — CID 157328398

IUPAC4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1
InChIInChI=1S/C19H17FN4O3S/c1-11-2-5-13(6-3-11)15-10-23-19(21)18(24-15)16(25)9-12-4-7-17(14(20)8-12)28(22,26)27/h2-8,10H,9H2,1H3,(H2,21,23)(H2,22,26,27)
InChIKeyVRCNWRNULIAEAR-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.25
Rot. Bonds5

About 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide

4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide (PubChem CID 157328398) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
PubChem CID157328398
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1
InChIInChI=1S/C19H17FN4O3S/c1-11-2-5-13(6-3-11)15-10-23-19(21)18(24-15)16(25)9-12-4-7-17(14(20)8-12)28(22,26)27/h2-8,10H,9H2,1H3,(H2,21,23)(H2,22,26,27)
InChIKeyVRCNWRNULIAEAR-UHFFFAOYSA-N
XLogP2.25
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-Amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide
CID 10164394
3-amino-N-(3-pyridyl)-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
CID 10177172
3-amino-6-{3-fluoro-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10301015
4'-(5-Aminopyrazin-2-yl)-N,N-diethyl-3'-fluorobiphenyl-2-sulfonamide
CID 77844641
4'-(5-aminopyrazin-2-yl)-N-tert-butyl-3'-fluorobiphenyl-2-sulfonamide
CID 77844697
2-[4-(5-amino-6-methylpyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
CID 90313223
3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937659

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide (CID 157328398) is 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide is Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The InChIKey is VRCNWRNULIAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-11-2-5-13(6-3-11)15-10-23-19(21)18(24-15)16(25)9-12-4-7-17(14(20)8-12)28(22,26)27/h2-8,10H,9H2,1H3,(H2,21,23)(H2,22,26,27).
What are the key properties of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide has a molecular weight of 400.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 157328398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).