N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide

C12H15IN4O2S — CID 65098956

IUPACN-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(I)cn2)nc1C
InChIInChI=1S/C12H15IN4O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-5-4-10(13)7-14-11/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeySORZKLIXPLTCIK-UHFFFAOYSA-N
MW406.25 g/mol
LogP2.40
Rot. Bonds5

About N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 65098956) has the molecular formula C12H15IN4O2S and a molecular weight of 406.25 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID65098956
Molecular FormulaC12H15IN4O2S
Molecular Weight406.25 g/mol
Exact Mass406.00
IUPAC NameN-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(I)cn2)nc1C
InChIInChI=1S/C12H15IN4O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-5-4-10(13)7-14-11/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeySORZKLIXPLTCIK-UHFFFAOYSA-N
XLogP2.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65098713
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178
2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1-propylimidazole-4-sulfonamide
CID 104620741
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63062952
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066439
N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63676566
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 65098956) is N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccc(I)cn2)nc1C.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is SORZKLIXPLTCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-5-4-10(13)7-14-11/h4-5,7-8H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 406.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 65098956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).