N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide

C12H22BrN3O2S — CID 114295175

IUPACN-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)CCBr)nc1C
InChIInChI=1S/C12H22BrN3O2S/c1-4-7-16-9-12(15-11(16)3)19(17,18)14-8-10(2)5-6-13/h9-10,14H,4-8H2,1-3H3
InChIKeyZCFRIOMPANBUOE-UHFFFAOYSA-N
MW352.30 g/mol
LogP2.30
Rot. Bonds8

About N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 114295175) has the molecular formula C12H22BrN3O2S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID114295175
Molecular FormulaC12H22BrN3O2S
Molecular Weight352.30 g/mol
Exact Mass351.06
IUPAC NameN-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)CCBr)nc1C
InChIInChI=1S/C12H22BrN3O2S/c1-4-7-16-9-12(15-11(16)3)19(17,18)14-8-10(2)5-6-13/h9-10,14H,4-8H2,1-3H3
InChIKeyZCFRIOMPANBUOE-UHFFFAOYSA-N
XLogP2.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 52.30
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

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
CID 82714897
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide
CID 66108004
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 114295175) is N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)CCBr)nc1C.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is ZCFRIOMPANBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O2S/c1-4-7-16-9-12(15-11(16)3)19(17,18)14-8-10(2)5-6-13/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 352.30 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 114295175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).