4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

C28H24N4O2S — CID 59860013

IUPAC4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1
InChIInChI=1S/C28H24N4O2S/c1-19(2)20-3-6-25(7-4-20)35(33,34)32-24-15-23(17-30-18-24)22-5-8-28-27(16-22)26(11-14-31-28)21-9-12-29-13-10-21/h3-19,32H,1-2H3
InChIKeyQBAHEYHJMORAII-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.28
Rot. Bonds6

About 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59860013) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59860013
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC Name4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1
InChIInChI=1S/C28H24N4O2S/c1-19(2)20-3-6-25(7-4-20)35(33,34)32-24-15-23(17-30-18-24)22-5-8-28-27(16-22)26(11-14-31-28)21-9-12-29-13-10-21/h3-19,32H,1-2H3
InChIKeyQBAHEYHJMORAII-UHFFFAOYSA-N
XLogP6.28
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860200
2,3-dimethyl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]imidazole-4-sulfonamide
CID 59859999
6-morpholin-4-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 59859945
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 25121265
2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860011
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860014
N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 59406555
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 42623383
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860008
N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 59859963

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 59860013) is 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QBAHEYHJMORAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-19(2)20-3-6-25(7-4-20)35(33,34)32-24-15-23(17-30-18-24)22-5-8-28-27(16-22)26(11-14-31-28)21-9-12-29-13-10-21/h3-19,32H,1-2H3.
What are the key properties of 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 480.59 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59860013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).