N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide

C14H19N5O3S — CID 126934672

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCc1ccc(=O)n(C2CCC(NS(=O)(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C14H19N5O3S/c1-10-2-7-14(20)19(17-10)12-5-3-11(4-6-12)18-23(21,22)13-8-15-9-16-13/h2,7-9,11-12,18H,3-6H2,1H3,(H,15,16)
InChIKeyLVLWSWHKLAIKQI-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.74
Rot. Bonds4

About N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide (PubChem CID 126934672) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide
PubChem CID126934672
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide
SMILESCc1ccc(=O)n(C2CCC(NS(=O)(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C14H19N5O3S/c1-10-2-7-14(20)19(17-10)12-5-3-11(4-6-12)18-23(21,22)13-8-15-9-16-13/h2,7-9,11-12,18H,3-6H2,1H3,(H,15,16)
InChIKeyLVLWSWHKLAIKQI-UHFFFAOYSA-N
XLogP0.74
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide (CID 126934672) is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide is Cc1ccc(=O)n(C2CCC(NS(=O)(=O)c3cnc[nH]3)CC2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide?
The InChIKey is LVLWSWHKLAIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-10-2-7-14(20)19(17-10)12-5-3-11(4-6-12)18-23(21,22)13-8-15-9-16-13/h2,7-9,11-12,18H,3-6H2,1H3,(H,15,16).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 126934672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).