N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide

C9H16ClN3O2S — CID 106846497

IUPACN-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCCCCl)c1
InChIInChI=1S/C9H16ClN3O2S/c1-2-13-7-9(11-8-13)16(14,15)12-6-4-3-5-10/h7-8,12H,2-6H2,1H3
InChIKeyOAZIXJUHWLHWQV-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.20
Rot. Bonds7

About N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide

N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 106846497) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
PubChem CID106846497
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCCCCl)c1
InChIInChI=1S/C9H16ClN3O2S/c1-2-13-7-9(11-8-13)16(14,15)12-6-4-3-5-10/h7-8,12H,2-6H2,1H3
InChIKeyOAZIXJUHWLHWQV-UHFFFAOYSA-N
XLogP1.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974
methyl 6-[(1-ethylimidazol-4-yl)sulfonylamino]hexanoate
CID 79373929
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-(2-azidoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373404
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
CID 113343424
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 79372698
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide (CID 106846497) is N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCCCCCl)c1.
What is the InChIKey of N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is OAZIXJUHWLHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-2-13-7-9(11-8-13)16(14,15)12-6-4-3-5-10/h7-8,12H,2-6H2,1H3.
What are the key properties of N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide?
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 106846497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).