N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

C11H14ClN5O2S — CID 126823702

IUPACN-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(Cl)nn1
InChIInChI=1S/C11H14ClN5O2S/c1-7(2)17-5-10(13-6-17)20(18,19)16-9-4-8(3)14-15-11(9)12/h4-7H,1-3H3,(H,14,16)
InChIKeyWPYQLJVEZLDHDY-UHFFFAOYSA-N
MW315.79 g/mol
LogP2.02
Rot. Bonds4

About N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126823702) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID126823702
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC NameN-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(Cl)nn1
InChIInChI=1S/C11H14ClN5O2S/c1-7(2)17-5-10(13-6-17)20(18,19)16-9-4-8(3)14-15-11(9)12/h4-7H,1-3H3,(H,14,16)
InChIKeyWPYQLJVEZLDHDY-UHFFFAOYSA-N
XLogP2.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 126823702) is N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(Cl)nn1.
What is the InChIKey of N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is WPYQLJVEZLDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-7(2)17-5-10(13-6-17)20(18,19)16-9-4-8(3)14-15-11(9)12/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methylpyridazin-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126823702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).