5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C18H15ClN2O4S — CID 3237404

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O4S/c19-14-3-6-16(7-4-14)26(23,24)12-15-5-8-17(25-15)18(22)21-11-13-2-1-9-20-10-13/h1-10H,11-12H2,(H,21,22)
InChIKeyYFQDTWVBXOVQBZ-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.23
Rot. Bonds6

About 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 3237404) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID3237404
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O4S/c19-14-3-6-16(7-4-14)26(23,24)12-15-5-8-17(25-15)18(22)21-11-13-2-1-9-20-10-13/h1-10H,11-12H2,(H,21,22)
InChIKeyYFQDTWVBXOVQBZ-UHFFFAOYSA-N
XLogP3.23
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 3237404) is 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is YFQDTWVBXOVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c19-14-3-6-16(7-4-14)26(23,24)12-15-5-8-17(25-15)18(22)21-11-13-2-1-9-20-10-13/h1-10H,11-12H2,(H,21,22).
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3237404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).