2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide

C22H15F2N5O2S — CID 66807015

IUPAC2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1nc2nc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3cc2[nH]1
InChIInChI=1S/C22H15F2N5O2S/c1-12-26-20-8-14-6-13(2-4-19(14)28-22(20)27-12)15-7-17(11-25-10-15)29-32(30,31)21-5-3-16(23)9-18(21)24/h2-11,29H,1H3,(H,26,27,28)
InChIKeyZWBSQHULVZJQRK-UHFFFAOYSA-N
MW451.46 g/mol
LogP4.56
Rot. Bonds4

About 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 66807015) has the molecular formula C22H15F2N5O2S and a molecular weight of 451.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID66807015
Molecular FormulaC22H15F2N5O2S
Molecular Weight451.46 g/mol
Exact Mass451.09
IUPAC Name2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1nc2nc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3cc2[nH]1
InChIInChI=1S/C22H15F2N5O2S/c1-12-26-20-8-14-6-13(2-4-19(14)28-22(20)27-12)15-7-17(11-25-10-15)29-32(30,31)21-5-3-16(23)9-18(21)24/h2-11,29H,1H3,(H,26,27,28)
InChIKeyZWBSQHULVZJQRK-UHFFFAOYSA-N
XLogP4.56
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 66807015) is 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide is Cc1nc2nc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3cc2[nH]1.
What is the InChIKey of 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ZWBSQHULVZJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2S/c1-12-26-20-8-14-6-13(2-4-19(14)28-22(20)27-12)15-7-17(11-25-10-15)29-32(30,31)21-5-3-16(23)9-18(21)24/h2-11,29H,1H3,(H,26,27,28).
What are the key properties of 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 451.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(2-methyl-1H-imidazo[4,5-b]quinolin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66807015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).