N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide

C10H18ClN3O2S — CID 79372708

IUPACN-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H18ClN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-13(4-2)9-12-10/h8-9H,3-7H2,1-2H3
InChIKeyFOVGDURSEUONFB-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.54
Rot. Bonds7

About N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide

N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide (PubChem CID 79372708) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
PubChem CID79372708
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H18ClN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-13(4-2)9-12-10/h8-9H,3-7H2,1-2H3
InChIKeyFOVGDURSEUONFB-UHFFFAOYSA-N
XLogP1.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide (CID 79372708) is N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide is CCCN(CCCl)S(=O)(=O)c1cn(CC)cn1.
What is the InChIKey of N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide?
The InChIKey is FOVGDURSEUONFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-13(4-2)9-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide?
N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide is sourced from PubChem (CID 79372708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).