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

C18H15BrN4O4S — CID 4227972

IUPAC2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H15BrN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)13-8-6-12(7-9-13)22-17(24)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23)(H,22,24)
InChIKeyQORBBMKDOCXYNK-UHFFFAOYSA-N
MW463.31 g/mol
LogP3.30
Rot. Bonds6

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

2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 4227972) has the molecular formula C18H15BrN4O4S and a molecular weight of 463.31 g/mol. Its IUPAC name is 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID4227972
Molecular FormulaC18H15BrN4O4S
Molecular Weight463.31 g/mol
Exact Mass462.00
IUPAC Name2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H15BrN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)13-8-6-12(7-9-13)22-17(24)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23)(H,22,24)
InChIKeyQORBBMKDOCXYNK-UHFFFAOYSA-N
XLogP3.30
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide (CID 4227972) is 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is QORBBMKDOCXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O4S/c1-27-18-16(20-10-11-21-18)23-28(25,26)13-8-6-12(7-9-13)22-17(24)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23)(H,22,24).
What are the key properties of 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide?
2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 463.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4227972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).