N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide

C21H17N3O4S — CID 2576894

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H17N3O4S/c25-21(20-12-7-15-4-1-2-6-19(15)24-20)23-16-8-10-18(11-9-16)29(26,27)22-14-17-5-3-13-28-17/h1-13,22H,14H2,(H,23,25)
InChIKeyRWFWPYXRHNPIRT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.56
Rot. Bonds6

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 2576894) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide
PubChem CID2576894
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H17N3O4S/c25-21(20-12-7-15-4-1-2-6-19(15)24-20)23-16-8-10-18(11-9-16)29(26,27)22-14-17-5-3-13-28-17/h1-13,22H,14H2,(H,23,25)
InChIKeyRWFWPYXRHNPIRT-UHFFFAOYSA-N
XLogP3.56
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide (CID 2576894) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is RWFWPYXRHNPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c25-21(20-12-7-15-4-1-2-6-19(15)24-20)23-16-8-10-18(11-9-16)29(26,27)22-14-17-5-3-13-28-17/h1-13,22H,14H2,(H,23,25).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 2576894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).