N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

C10H18BrN3O2S — CID 83179208

IUPACN-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CCBr)nc1C
InChIInChI=1S/C10H18BrN3O2S/c1-4-14-7-10(12-9(14)3)17(15,16)13-8(2)5-6-11/h7-8,13H,4-6H2,1-3H3
InChIKeyCWPWOTCEXRJQNJ-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.66
Rot. Bonds6

About N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 83179208) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID83179208
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)CCBr)nc1C
InChIInChI=1S/C10H18BrN3O2S/c1-4-14-7-10(12-9(14)3)17(15,16)13-8(2)5-6-11/h7-8,13H,4-6H2,1-3H3
InChIKeyCWPWOTCEXRJQNJ-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.66
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-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
CID 103887499
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 83179208) is N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)CCBr)nc1C.
What is the InChIKey of N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is CWPWOTCEXRJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-4-14-7-10(12-9(14)3)17(15,16)13-8(2)5-6-11/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 83179208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).