N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide

C18H12N4O3S — CID 67282282

IUPACN-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccco2)cc(-c2ccc(C#N)c(C#N)n2)c1
InChIInChI=1S/C18H12N4O3S/c1-12-7-14(16-5-4-13(10-19)17(11-20)21-16)9-15(8-12)22-26(23,24)18-3-2-6-25-18/h2-9,22H,1H3
InChIKeyBBGITUJYTSZMRC-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.19
Rot. Bonds4

About N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide

N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide (PubChem CID 67282282) has the molecular formula C18H12N4O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide
PubChem CID67282282
Molecular FormulaC18H12N4O3S
Molecular Weight364.39 g/mol
Exact Mass364.06
IUPAC NameN-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccco2)cc(-c2ccc(C#N)c(C#N)n2)c1
InChIInChI=1S/C18H12N4O3S/c1-12-7-14(16-5-4-13(10-19)17(11-20)21-16)9-15(8-12)22-26(23,24)18-3-2-6-25-18/h2-9,22H,1H3
InChIKeyBBGITUJYTSZMRC-UHFFFAOYSA-N
XLogP3.19
TPSA119.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide?
The IUPAC name of N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide (CID 67282282) is N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide.
What is the SMILES notation for N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide?
The canonical SMILES for N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccco2)cc(-c2ccc(C#N)c(C#N)n2)c1.
What is the InChIKey of N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide?
The InChIKey is BBGITUJYTSZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S/c1-12-7-14(16-5-4-13(10-19)17(11-20)21-16)9-15(8-12)22-26(23,24)18-3-2-6-25-18/h2-9,22H,1H3.
What are the key properties of N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide?
N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide has a molecular weight of 364.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide is sourced from PubChem (CID 67282282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).