N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C16H15BrN4O4S — CID 983426

IUPACN'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C16H15BrN4O4S/c1-10-15(21-8-4-3-5-14(21)18-10)16(22)19-20-26(23,24)13-9-11(17)6-7-12(13)25-2/h3-9,20H,1-2H3,(H,19,22)
InChIKeyWFAPPADBDNFXGS-UHFFFAOYSA-N
MW439.29 g/mol
LogP2.04
Rot. Bonds5

About N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 983426) has the molecular formula C16H15BrN4O4S and a molecular weight of 439.29 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID983426
Molecular FormulaC16H15BrN4O4S
Molecular Weight439.29 g/mol
Exact Mass438.00
IUPAC NameN'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C16H15BrN4O4S/c1-10-15(21-8-4-3-5-14(21)18-10)16(22)19-20-26(23,24)13-9-11(17)6-7-12(13)25-2/h3-9,20H,1-2H3,(H,19,22)
InChIKeyWFAPPADBDNFXGS-UHFFFAOYSA-N
XLogP2.04
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 983426) is N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12.
What is the InChIKey of N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is WFAPPADBDNFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O4S/c1-10-15(21-8-4-3-5-14(21)18-10)16(22)19-20-26(23,24)13-9-11(17)6-7-12(13)25-2/h3-9,20H,1-2H3,(H,19,22).
What are the key properties of N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 439.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 983426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).