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

C17H15BrN4O3S2 — CID 1181734

IUPAC5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1
InChIInChI=1S/C17H15BrN4O3S2/c1-10-9-11(2)20-17(19-10)22-27(24,25)13-5-3-12(4-6-13)21-16(23)14-7-8-15(18)26-14/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyARKNHESFAKIYTN-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.97
Rot. Bonds5

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

5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1181734) has the molecular formula C17H15BrN4O3S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1181734
Molecular FormulaC17H15BrN4O3S2
Molecular Weight467.37 g/mol
Exact Mass465.98
IUPAC Name5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1
InChIInChI=1S/C17H15BrN4O3S2/c1-10-9-11(2)20-17(19-10)22-27(24,25)13-5-3-12(4-6-13)21-16(23)14-7-8-15(18)26-14/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyARKNHESFAKIYTN-UHFFFAOYSA-N
XLogP3.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.97
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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 1181734) is 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1.
What is the InChIKey of 5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ARKNHESFAKIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S2/c1-10-9-11(2)20-17(19-10)22-27(24,25)13-5-3-12(4-6-13)21-16(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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 3.97, 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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1181734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).