5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide

C10H18ClN3O3S — CID 47164739

IUPAC5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O3S/c1-8(2)17-6-4-5-13-18(15,16)10-9(11)14(3)7-12-10/h7-8,13H,4-6H2,1-3H3
InChIKeyGDQFSXVZCUCIOF-UHFFFAOYSA-N
MW295.79 g/mol
LogP1.17
Rot. Bonds7

About 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide (PubChem CID 47164739) has the molecular formula C10H18ClN3O3S and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide
PubChem CID47164739
Molecular FormulaC10H18ClN3O3S
Molecular Weight295.79 g/mol
Exact Mass295.08
IUPAC Name5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H18ClN3O3S/c1-8(2)17-6-4-5-13-18(15,16)10-9(11)14(3)7-12-10/h7-8,13H,4-6H2,1-3H3
InChIKeyGDQFSXVZCUCIOF-UHFFFAOYSA-N
XLogP1.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 51.17
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-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide (CID 47164739) is 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide is CC(C)OCCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide?
The InChIKey is GDQFSXVZCUCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O3S/c1-8(2)17-6-4-5-13-18(15,16)10-9(11)14(3)7-12-10/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide has a molecular weight of 295.79 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-propan-2-yloxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 47164739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).