N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide

C23H16FN3O3S2 — CID 23217962

IUPACN-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1SCc1ccoc1
InChIInChI=1S/C23H16FN3O3S2/c24-19-8-6-17(7-9-19)22-21(27-32(28,29)20-4-2-1-3-5-20)12-18(13-25)23(26-22)31-15-16-10-11-30-14-16/h1-12,14,27H,15H2
InChIKeyGNLKZKGFIRRAQJ-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.45
Rot. Bonds7

About N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide

N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23217962) has the molecular formula C23H16FN3O3S2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23217962
Molecular FormulaC23H16FN3O3S2
Molecular Weight465.53 g/mol
Exact Mass465.06
IUPAC NameN-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1SCc1ccoc1
InChIInChI=1S/C23H16FN3O3S2/c24-19-8-6-17(7-9-19)22-21(27-32(28,29)20-4-2-1-3-5-20)12-18(13-25)23(26-22)31-15-16-10-11-30-14-16/h1-12,14,27H,15H2
InChIKeyGNLKZKGFIRRAQJ-UHFFFAOYSA-N
XLogP5.45
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218003
N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928
N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218040
N-[6-butoxy-5-cyano-2-(3-methylphenyl)-3-pyridinyl]benzenesulfonamide
CID 23217980
3-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 2768142
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23007482
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide (CID 23217962) is N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1SCc1ccoc1.
What is the InChIKey of N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is GNLKZKGFIRRAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O3S2/c24-19-8-6-17(7-9-19)22-21(27-32(28,29)20-4-2-1-3-5-20)12-18(13-25)23(26-22)31-15-16-10-11-30-14-16/h1-12,14,27H,15H2.
What are the key properties of N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 465.53 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).