2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide

C14H16ClN3O3S — CID 155116177

IUPAC2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide
SMILESCCn1cc(C(=O)NS(=O)(=O)CC)nc1-c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-3-18-9-12(14(19)17-22(20,21)4-2)16-13(18)10-7-5-6-8-11(10)15/h5-9H,3-4H2,1-2H3,(H,17,19)
InChIKeyAVHUAXPBHYTZOJ-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide (PubChem CID 155116177) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide
PubChem CID155116177
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide
SMILESCCn1cc(C(=O)NS(=O)(=O)CC)nc1-c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-3-18-9-12(14(19)17-22(20,21)4-2)16-13(18)10-7-5-6-8-11(10)15/h5-9H,3-4H2,1-2H3,(H,17,19)
InChIKeyAVHUAXPBHYTZOJ-UHFFFAOYSA-N
XLogP2.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide (CID 155116177) is 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide is CCn1cc(C(=O)NS(=O)(=O)CC)nc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide?
The InChIKey is AVHUAXPBHYTZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-3-18-9-12(14(19)17-22(20,21)4-2)16-13(18)10-7-5-6-8-11(10)15/h5-9H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide has a molecular weight of 341.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide is sourced from PubChem (CID 155116177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).