N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

C11H14ClN5O2S — CID 104821178

IUPACN-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cncc(Cl)n2)nc1C
InChIInChI=1S/C11H14ClN5O2S/c1-3-4-17-7-11(14-8(17)2)20(18,19)16-10-6-13-5-9(12)15-10/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKXTSUOVTKNYWQC-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.85
Rot. Bonds5

About N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 104821178) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID104821178
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC NameN-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cncc(Cl)n2)nc1C
InChIInChI=1S/C11H14ClN5O2S/c1-3-4-17-7-11(14-8(17)2)20(18,19)16-10-6-13-5-9(12)15-10/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKXTSUOVTKNYWQC-UHFFFAOYSA-N
XLogP1.85
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 104821178) is N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cncc(Cl)n2)nc1C.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is KXTSUOVTKNYWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-3-4-17-7-11(14-8(17)2)20(18,19)16-10-6-13-5-9(12)15-10/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 104821178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).