5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide

C17H15BrN4O4S — CID 1407193

IUPAC5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(C)n1
InChIInChI=1S/C17H15BrN4O4S/c1-10-9-16(20-11(2)19-10)22-27(24,25)13-5-3-12(4-6-13)21-17(23)14-7-8-15(18)26-14/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeySOJNZBMAVHIZNK-UHFFFAOYSA-N
MW451.30 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 1407193) has the molecular formula C17H15BrN4O4S and a molecular weight of 451.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID1407193
Molecular FormulaC17H15BrN4O4S
Molecular Weight451.30 g/mol
Exact Mass450.00
IUPAC Name5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(C)n1
InChIInChI=1S/C17H15BrN4O4S/c1-10-9-16(20-11(2)19-10)22-27(24,25)13-5-3-12(4-6-13)21-17(23)14-7-8-15(18)26-14/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeySOJNZBMAVHIZNK-UHFFFAOYSA-N
XLogP3.50
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide (CID 1407193) is 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(C)n1.
What is the InChIKey of 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is SOJNZBMAVHIZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O4S/c1-10-9-16(20-11(2)19-10)22-27(24,25)13-5-3-12(4-6-13)21-17(23)14-7-8-15(18)26-14/h3-9H,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 451.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1407193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).