5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C15H11BrN4O4S — CID 1235997

IUPAC5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H11BrN4O4S/c16-13-7-6-12(24-13)14(21)19-10-2-4-11(5-3-10)25(22,23)20-15-17-8-1-9-18-15/h1-9H,(H,19,21)(H,17,18,20)
InChIKeyCIKJNLYXGYBAPI-UHFFFAOYSA-N
MW423.25 g/mol
LogP2.89
Rot. Bonds5

About 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 1235997) has the molecular formula C15H11BrN4O4S and a molecular weight of 423.25 g/mol. Its IUPAC name is 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID1235997
Molecular FormulaC15H11BrN4O4S
Molecular Weight423.25 g/mol
Exact Mass421.97
IUPAC Name5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H11BrN4O4S/c16-13-7-6-12(24-13)14(21)19-10-2-4-11(5-3-10)25(22,23)20-15-17-8-1-9-18-15/h1-9H,(H,19,21)(H,17,18,20)
InChIKeyCIKJNLYXGYBAPI-UHFFFAOYSA-N
XLogP2.89
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1241577
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
5-bromo-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1407193
N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)furan-2-carboxamide
CID 1981918
5-bromo-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1000819
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1076233
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-5-ethyl-2-furamide
CID 1086661
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-5-methylfuran-2-carboxamide
CID 1247653
5-bromo-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}-2-furamide
CID 1293262
2-(4-{5-[(4-Bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-YL)pyrimidine
CID 3593662
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 729119
5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1001013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 1235997) is 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is CIKJNLYXGYBAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O4S/c16-13-7-6-12(24-13)14(21)19-10-2-4-11(5-3-10)25(22,23)20-15-17-8-1-9-18-15/h1-9H,(H,19,21)(H,17,18,20).
What are the key properties of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 423.25 g/mol, XLogP of 2.89, 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-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1235997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).