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

C15H12N4O4S — CID 729119

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccco1
InChIInChI=1S/C15H12N4O4S/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyONYXCVZZCUTDLW-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.12
Rot. Bonds5

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

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 729119) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID729119
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccco1
InChIInChI=1S/C15H12N4O4S/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyONYXCVZZCUTDLW-UHFFFAOYSA-N
XLogP2.12
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 729119) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccco1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is ONYXCVZZCUTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 729119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).