N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide

C20H17BrN4O3S — CID 69208933

IUPACN-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)cc1
InChIInChI=1S/C20H17BrN4O3S/c1-12-17(21)11-22-20-18(12)23-19(24-20)13-3-5-14(6-4-13)25-29(26,27)16-9-7-15(28-2)8-10-16/h3-11,25H,1-2H3,(H,22,23,24)
InChIKeyCXONFAMPJGKMFF-UHFFFAOYSA-N
MW473.35 g/mol
LogP4.51
Rot. Bonds5

About N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide

N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 69208933) has the molecular formula C20H17BrN4O3S and a molecular weight of 473.35 g/mol. Its IUPAC name is N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID69208933
Molecular FormulaC20H17BrN4O3S
Molecular Weight473.35 g/mol
Exact Mass472.02
IUPAC NameN-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)cc1
InChIInChI=1S/C20H17BrN4O3S/c1-12-17(21)11-22-20-18(12)23-19(24-20)13-3-5-14(6-4-13)25-29(26,27)16-9-7-15(28-2)8-10-16/h3-11,25H,1-2H3,(H,22,23,24)
InChIKeyCXONFAMPJGKMFF-UHFFFAOYSA-N
XLogP4.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.35
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (CID 69208933) is N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is CXONFAMPJGKMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3S/c1-12-17(21)11-22-20-18(12)23-19(24-20)13-3-5-14(6-4-13)25-29(26,27)16-9-7-15(28-2)8-10-16/h3-11,25H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 473.35 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 69208933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).