N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide

C10H18ClN3O2S — CID 65032781

IUPACN-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC(CC)(CCl)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C10H18ClN3O2S/c1-4-10(5-2,7-11)14-17(15,16)9-6-12-8(3)13-9/h6,14H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQMHNBSWQAOHVIR-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.79
Rot. Bonds6

About N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide

N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 65032781) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID65032781
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC(CC)(CCl)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C10H18ClN3O2S/c1-4-10(5-2,7-11)14-17(15,16)9-6-12-8(3)13-9/h6,14H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQMHNBSWQAOHVIR-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 105060564
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide (CID 65032781) is N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide is CCC(CC)(CCl)NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is QMHNBSWQAOHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-4-10(5-2,7-11)14-17(15,16)9-6-12-8(3)13-9/h6,14H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 65032781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).