N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide

C10H16BrN3O2S — CID 114294574

IUPACN-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(Br)C2CC2)c1
InChIInChI=1S/C10H16BrN3O2S/c1-2-14-6-10(12-7-14)17(15,16)13-5-9(11)8-3-4-8/h6-9,13H,2-5H2,1H3
InChIKeyQGISWUQHNNQZQU-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.35
Rot. Bonds6

About N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide

N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 114294574) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
PubChem CID114294574
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(Br)C2CC2)c1
InChIInChI=1S/C10H16BrN3O2S/c1-2-14-6-10(12-7-14)17(15,16)13-5-9(11)8-3-4-8/h6-9,13H,2-5H2,1H3
InChIKeyQGISWUQHNNQZQU-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
CID 96566607
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
CID 79372684
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
CID 79373825
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-ethylimidazole-4-sulfonamide
CID 114758683
1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
CID 79372781
1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
CID 79373655
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide (CID 114294574) is N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC(Br)C2CC2)c1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is QGISWUQHNNQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-2-14-6-10(12-7-14)17(15,16)13-5-9(11)8-3-4-8/h6-9,13H,2-5H2,1H3.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide?
N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 114294574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).