N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

C8H14BrN3O2S — CID 80676344

IUPACN-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H14BrN3O2S/c1-3-12(5-4-9)15(13,14)8-6-10-11(2)7-8/h6-7H,3-5H2,1-2H3
InChIKeyYNGKRGYPFIDXBL-UHFFFAOYSA-N
MW296.19 g/mol
LogP0.83
Rot. Bonds5

About N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 80676344) has the molecular formula C8H14BrN3O2S and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
PubChem CID80676344
Molecular FormulaC8H14BrN3O2S
Molecular Weight296.19 g/mol
Exact Mass295.00
IUPAC NameN-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H14BrN3O2S/c1-3-12(5-4-9)15(13,14)8-6-10-11(2)7-8/h6-7H,3-5H2,1-2H3
InChIKeyYNGKRGYPFIDXBL-UHFFFAOYSA-N
XLogP0.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 55210793
N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 115754586
N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
CID 106316010
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 29089522
N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107493068
1-methylpyrazole-4-sulfonyl bromide
CID 130493718
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984
N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide
CID 62061542
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 63397040
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
N-(2-bromoethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 80676549

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (CID 80676344) is N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is CCN(CCBr)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is YNGKRGYPFIDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O2S/c1-3-12(5-4-9)15(13,14)8-6-10-11(2)7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 296.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 80676344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).