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

C42H35Br2N9O6S2 — CID 87963700

IUPACN-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;N-[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.Cc1c(Br)cnc2nc(-c3ccc(NS(=O)(=O)c4ccc(OCCC#N)cc4)cc3)[nH]c12
InChIInChI=1S/C22H18BrN5O3S.C20H17BrN4O3S/c1-14-19(23)13-25-22-20(14)26-21(27-22)15-3-5-16(6-4-15)28-32(29,30)18-9-7-17(8-10-18)31-12-2-11-24;1-12-17(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/h3-10,13,28H,2,12H2,1H3,(H,25,26,27);3-11,25H,1-2H3,(H,22,23,24)
InChIKeyOJGMTJJQCDOOMO-UHFFFAOYSA-N
MW985.74 g/mol
LogP9.29
Rot. Bonds12

About N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 87963700) has the molecular formula C42H35Br2N9O6S2 and a molecular weight of 985.74 g/mol. Its IUPAC name is N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID87963700
Molecular FormulaC42H35Br2N9O6S2
Molecular Weight985.74 g/mol
Exact Mass983.05
IUPAC NameN-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;N-[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.Cc1c(Br)cnc2nc(-c3ccc(NS(=O)(=O)c4ccc(OCCC#N)cc4)cc3)[nH]c12
InChIInChI=1S/C22H18BrN5O3S.C20H17BrN4O3S/c1-14-19(23)13-25-22-20(14)26-21(27-22)15-3-5-16(6-4-15)28-32(29,30)18-9-7-17(8-10-18)31-12-2-11-24;1-12-17(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/h3-10,13,28H,2,12H2,1H3,(H,25,26,27);3-11,25H,1-2H3,(H,22,23,24)
InChIKeyOJGMTJJQCDOOMO-UHFFFAOYSA-N
XLogP9.29
TPSA217.73 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.74
LogP ≤ 59.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide with MolForge

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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-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (CID 87963700) is N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;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.Cc1c(Br)cnc2nc(-c3ccc(NS(=O)(=O)c4ccc(OCCC#N)cc4)cc3)[nH]c12.
What is the InChIKey of N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is OJGMTJJQCDOOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O3S.C20H17BrN4O3S/c1-14-19(23)13-25-22-20(14)26-21(27-22)15-3-5-16(6-4-15)28-32(29,30)18-9-7-17(8-10-18)31-12-2-11-24;1-12-17(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/h3-10,13,28H,2,12H2,1H3,(H,25,26,27);3-11,25H,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-(2-cyanoethoxy)benzenesulfonamide;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-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 985.74 g/mol, XLogP of 9.29, 12 rotatable bonds, 4 hydrogen bond donors, and 11 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-(2-cyanoethoxy)benzenesulfonamide;N-[4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 87963700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).