N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide

C10H18BrN3O2S — CID 80672178

IUPACN-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C10H18BrN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-12-9(4-2)13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNJCAKXMQPDZKND-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.77
Rot. Bonds7

About N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide

N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide (PubChem CID 80672178) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
PubChem CID80672178
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C10H18BrN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-12-9(4-2)13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNJCAKXMQPDZKND-UHFFFAOYSA-N
XLogP1.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide (CID 80672178) is N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide is CCCN(CCBr)S(=O)(=O)c1cnc(CC)[nH]1.
What is the InChIKey of N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide?
The InChIKey is NJCAKXMQPDZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-3-6-14(7-5-11)17(15,16)10-8-12-9(4-2)13-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide?
N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 80672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).