5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

C8H14ClN3O3S — CID 43415255

IUPAC5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyPMEPAQFQNNTNDR-UHFFFAOYSA-N
MW267.74 g/mol
LogP0.39
Rot. Bonds6

About 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 43415255) has the molecular formula C8H14ClN3O3S and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID43415255
Molecular FormulaC8H14ClN3O3S
Molecular Weight267.74 g/mol
Exact Mass267.04
IUPAC Name5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyPMEPAQFQNNTNDR-UHFFFAOYSA-N
XLogP0.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.39
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-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide (CID 43415255) is 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is COCCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is PMEPAQFQNNTNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3S/c1-12-6-10-8(7(12)9)16(13,14)11-4-3-5-15-2/h6,11H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 267.74 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).