1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide

C10H12BrN3O3S — CID 122266102

IUPAC1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C10H12BrN3O3S/c11-8-18(15,16)13-7-9(10-3-1-6-17-10)14-5-2-4-12-14/h1-6,9,13H,7-8H2
InChIKeyBTBHYRQPZOFONQ-UHFFFAOYSA-N
MW334.20 g/mol
LogP1.34
Rot. Bonds6

About 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide

1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide (PubChem CID 122266102) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
PubChem CID122266102
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C10H12BrN3O3S/c11-8-18(15,16)13-7-9(10-3-1-6-17-10)14-5-2-4-12-14/h1-6,9,13H,7-8H2
InChIKeyBTBHYRQPZOFONQ-UHFFFAOYSA-N
XLogP1.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
CID 122266105
5-ethyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]thiophene-2-sulfonamide
CID 122266119
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 122266192
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide (CID 122266102) is 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide is O=S(=O)(CBr)NCC(c1ccco1)n1cccn1.
What is the InChIKey of 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide?
The InChIKey is BTBHYRQPZOFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c11-8-18(15,16)13-7-9(10-3-1-6-17-10)14-5-2-4-12-14/h1-6,9,13H,7-8H2.
What are the key properties of 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide?
1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide is sourced from PubChem (CID 122266102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).