5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide

C8H11ClN4O2S — CID 62091697

IUPAC5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-6(3-4-10)12-16(14,15)8-7(9)13(2)5-11-8/h5-6,12H,3H2,1-2H3
InChIKeyAGXRTABGOFWNNF-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.65
Rot. Bonds4

About 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 62091697) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
PubChem CID62091697
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC Name5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-6(3-4-10)12-16(14,15)8-7(9)13(2)5-11-8/h5-6,12H,3H2,1-2H3
InChIKeyAGXRTABGOFWNNF-UHFFFAOYSA-N
XLogP0.65
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide (CID 62091697) is 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide is CC(CC#N)NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is AGXRTABGOFWNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c1-6(3-4-10)12-16(14,15)8-7(9)13(2)5-11-8/h5-6,12H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 262.72 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62091697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).