N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide

C9H16ClN3O2S — CID 106158955

IUPACN-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16ClN3O2S/c1-8(5-10)3-2-4-13-16(14,15)9-6-11-7-12-9/h6-8,13H,2-5H2,1H3,(H,11,12)
InChIKeyWKALLLSPCSROQH-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.34
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide

N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide (PubChem CID 106158955) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
PubChem CID106158955
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16ClN3O2S/c1-8(5-10)3-2-4-13-16(14,15)9-6-11-7-12-9/h6-8,13H,2-5H2,1H3,(H,11,12)
InChIKeyWKALLLSPCSROQH-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158848
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
2-bromo-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158915

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide (CID 106158955) is N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide is CC(CCl)CCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide?
The InChIKey is WKALLLSPCSROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-8(5-10)3-2-4-13-16(14,15)9-6-11-7-12-9/h6-8,13H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide?
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106158955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).