N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

C10H18BrN3O2S — CID 114294711

IUPACN-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC(CBr)C(C)C)cn1C
InChIInChI=1S/C10H18BrN3O2S/c1-7(2)9(5-11)13-17(15,16)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3
InChIKeyOFPREYJDGZLKFT-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.43
Rot. Bonds5

About N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 114294711) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID114294711
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC(CBr)C(C)C)cn1C
InChIInChI=1S/C10H18BrN3O2S/c1-7(2)9(5-11)13-17(15,16)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3
InChIKeyOFPREYJDGZLKFT-UHFFFAOYSA-N
XLogP1.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 114294711) is N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC(CBr)C(C)C)cn1C.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is OFPREYJDGZLKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-7(2)9(5-11)13-17(15,16)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3.
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 114294711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).