N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide

C14H14N4O3S — CID 110869798

IUPACN-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3nc[nH]c3c2)cc1C
InChIInChI=1S/C14H14N4O3S/c1-9-5-11(3-4-13(9)21-2)22(19,20)18-10-6-12-14(15-7-10)17-8-16-12/h3-8,18H,1-2H3,(H,15,16,17)
InChIKeyUAFLUNCWEJOHFH-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.08
Rot. Bonds4

About N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 110869798) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID110869798
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3nc[nH]c3c2)cc1C
InChIInChI=1S/C14H14N4O3S/c1-9-5-11(3-4-13(9)21-2)22(19,20)18-10-6-12-14(15-7-10)17-8-16-12/h3-8,18H,1-2H3,(H,15,16,17)
InChIKeyUAFLUNCWEJOHFH-UHFFFAOYSA-N
XLogP2.08
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 110869798) is N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc3nc[nH]c3c2)cc1C.
What is the InChIKey of N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is UAFLUNCWEJOHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-9-5-11(3-4-13(9)21-2)22(19,20)18-10-6-12-14(15-7-10)17-8-16-12/h3-8,18H,1-2H3,(H,15,16,17).
What are the key properties of N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 110869798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).