N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide

C22H15ClN4O3S — CID 11797833

IUPACN-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
SMILESN#Cc1c(-c2ccco2)cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1N
InChIInChI=1S/C22H15ClN4O3S/c23-15-5-9-17(10-6-15)31(28,29)27-16-7-3-14(4-8-16)20-12-18(21-2-1-11-30-21)19(13-24)22(25)26-20/h1-12,27H,(H2,25,26)
InChIKeyBNYIVMYJMCRDGV-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.92
Rot. Bonds5

About N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide

N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide (PubChem CID 11797833) has the molecular formula C22H15ClN4O3S and a molecular weight of 450.91 g/mol. Its IUPAC name is N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
PubChem CID11797833
Molecular FormulaC22H15ClN4O3S
Molecular Weight450.91 g/mol
Exact Mass450.06
IUPAC NameN-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
SMILESN#Cc1c(-c2ccco2)cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1N
InChIInChI=1S/C22H15ClN4O3S/c23-15-5-9-17(10-6-15)31(28,29)27-16-7-3-14(4-8-16)20-12-18(21-2-1-11-30-21)19(13-24)22(25)26-20/h1-12,27H,(H2,25,26)
InChIKeyBNYIVMYJMCRDGV-UHFFFAOYSA-N
XLogP4.92
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10819582
2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10446308
2-amino-6-(furan-2-yl)-4-naphthalen-2-ylpyridine-3-carbonitrile
CID 166594868
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25048887
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244
N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 135456571
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
CID 67282863
2-amino-6-(4-chlorophenyl)-4-(2,4-difluorophenyl)pyridine-3-carbonitrile
CID 3379854
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide (CID 11797833) is N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide is N#Cc1c(-c2ccco2)cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc1N.
What is the InChIKey of N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is BNYIVMYJMCRDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O3S/c23-15-5-9-17(10-6-15)31(28,29)27-16-7-3-14(4-8-16)20-12-18(21-2-1-11-30-21)19(13-24)22(25)26-20/h1-12,27H,(H2,25,26).
What are the key properties of N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide?
N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 450.91 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 11797833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).