4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide

C18H15FN4O4S — CID 1194340

IUPAC4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)15-8-6-14(7-9-15)22-17(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,20,23)(H,22,24)
InChIKeyDUAWBLKLZKFSHT-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.68
Rot. Bonds6

About 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide

4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1194340) has the molecular formula C18H15FN4O4S and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1194340
Molecular FormulaC18H15FN4O4S
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC Name4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)15-8-6-14(7-9-15)22-17(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,20,23)(H,22,24)
InChIKeyDUAWBLKLZKFSHT-UHFFFAOYSA-N
XLogP2.68
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide (CID 1194340) is 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is DUAWBLKLZKFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)15-8-6-14(7-9-15)22-17(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,20,23)(H,22,24).
What are the key properties of 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 402.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1194340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).