5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide

C8H7Cl2N5O2S — CID 114049410

IUPAC5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Cl)ncn2)c1Cl
InChIInChI=1S/C8H7Cl2N5O2S/c1-15-4-13-8(7(15)10)18(16,17)14-6-2-5(9)11-3-12-6/h2-4H,1H3,(H,11,12,14)
InChIKeyAFOVGJZOMRGWPM-UHFFFAOYSA-N
MW308.15 g/mol
LogP1.32
Rot. Bonds3

About 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 114049410) has the molecular formula C8H7Cl2N5O2S and a molecular weight of 308.15 g/mol. Its IUPAC name is 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
PubChem CID114049410
Molecular FormulaC8H7Cl2N5O2S
Molecular Weight308.15 g/mol
Exact Mass306.97
IUPAC Name5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Cl)ncn2)c1Cl
InChIInChI=1S/C8H7Cl2N5O2S/c1-15-4-13-8(7(15)10)18(16,17)14-6-2-5(9)11-3-12-6/h2-4H,1H3,(H,11,12,14)
InChIKeyAFOVGJZOMRGWPM-UHFFFAOYSA-N
XLogP1.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide (CID 114049410) is 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(Cl)ncn2)c1Cl.
What is the InChIKey of 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is AFOVGJZOMRGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5O2S/c1-15-4-13-8(7(15)10)18(16,17)14-6-2-5(9)11-3-12-6/h2-4H,1H3,(H,11,12,14).
What are the key properties of 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 308.15 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 114049410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).