5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide

C8H14ClN3O4S2 — CID 47298812

IUPAC5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCS(C)(=O)=O)c1Cl
InChIInChI=1S/C8H14ClN3O4S2/c1-12-6-10-8(7(12)9)18(15,16)11-4-3-5-17(2,13)14/h6,11H,3-5H2,1-2H3
InChIKeyURIIEMLZBSGRAB-UHFFFAOYSA-N
MW315.80 g/mol
LogP-0.21
Rot. Bonds6

About 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide (PubChem CID 47298812) has the molecular formula C8H14ClN3O4S2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide
PubChem CID47298812
Molecular FormulaC8H14ClN3O4S2
Molecular Weight315.80 g/mol
Exact Mass315.01
IUPAC Name5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCS(C)(=O)=O)c1Cl
InChIInChI=1S/C8H14ClN3O4S2/c1-12-6-10-8(7(12)9)18(15,16)11-4-3-5-17(2,13)14/h6,11H,3-5H2,1-2H3
InChIKeyURIIEMLZBSGRAB-UHFFFAOYSA-N
XLogP-0.21
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylsulfonylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide (CID 47298812) is 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCS(C)(=O)=O)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide?
The InChIKey is URIIEMLZBSGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O4S2/c1-12-6-10-8(7(12)9)18(15,16)11-4-3-5-17(2,13)14/h6,11H,3-5H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide has a molecular weight of 315.80 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-methylsulfonylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 47298812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).