2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide

C20H19FN4O4S — CID 142785931

IUPAC2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCc1cccc(-c2cnc(N)c(C(=O)c3ccc(F)cc3)n2)c1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O4S/c1-29-10-9-13-3-2-4-15(19(13)30(23,27)28)16-11-24-20(22)17(25-16)18(26)12-5-7-14(21)8-6-12/h2-8,11H,9-10H2,1H3,(H2,22,24)(H2,23,27,28)
InChIKeyGNBXOFAGUZIDKS-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.93
Rot. Bonds7

About 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide

2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide (PubChem CID 142785931) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide
PubChem CID142785931
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCc1cccc(-c2cnc(N)c(C(=O)c3ccc(F)cc3)n2)c1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O4S/c1-29-10-9-13-3-2-4-15(19(13)30(23,27)28)16-11-24-20(22)17(25-16)18(26)12-5-7-14(21)8-6-12/h2-8,11H,9-10H2,1H3,(H2,22,24)(H2,23,27,28)
InChIKeyGNBXOFAGUZIDKS-UHFFFAOYSA-N
XLogP1.93
TPSA138.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564
3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651302
3-amino-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 10377153
methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
CID 71051747
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
CID 154402292
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
3-(2-amino-3-methoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 11372612
methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
CID 171524881

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide (CID 142785931) is 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide is COCCc1cccc(-c2cnc(N)c(C(=O)c3ccc(F)cc3)n2)c1S(N)(=O)=O.
What is the InChIKey of 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is GNBXOFAGUZIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-29-10-9-13-3-2-4-15(19(13)30(23,27)28)16-11-24-20(22)17(25-16)18(26)12-5-7-14(21)8-6-12/h2-8,11H,9-10H2,1H3,(H2,22,24)(H2,23,27,28).
What are the key properties of 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide?
2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 430.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-(4-fluorobenzoyl)pyrazin-2-yl]-6-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 142785931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).