5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide

C10H16ClN3O3S — CID 113233532

IUPAC5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCOCC2CC2)c1Cl
InChIInChI=1S/C10H16ClN3O3S/c1-14-7-12-10(9(14)11)18(15,16)13-4-5-17-6-8-2-3-8/h7-8,13H,2-6H2,1H3
InChIKeyKIIHGWJROZBFKN-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.78
Rot. Bonds7

About 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 113233532) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID113233532
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCOCC2CC2)c1Cl
InChIInChI=1S/C10H16ClN3O3S/c1-14-7-12-10(9(14)11)18(15,16)13-4-5-17-6-8-2-3-8/h7-8,13H,2-6H2,1H3
InChIKeyKIIHGWJROZBFKN-UHFFFAOYSA-N
XLogP0.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide (CID 113233532) is 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCOCC2CC2)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is KIIHGWJROZBFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-14-7-12-10(9(14)11)18(15,16)13-4-5-17-6-8-2-3-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 293.78 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 113233532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).