N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide

C10H18BrN3O2S — CID 106118415

IUPACN-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18BrN3O2S/c1-2-3-9(4-5-11)6-14-17(15,16)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyFWPLNKAJKZIKIW-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.89
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide

N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106118415) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
PubChem CID106118415
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18BrN3O2S/c1-2-3-9(4-5-11)6-14-17(15,16)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13)
InChIKeyFWPLNKAJKZIKIW-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
CID 81066688
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
CID 61123860
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158333
N-[2-(2-bromoethyl)pentyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172636
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
CID 114298822

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide (CID 106118415) is N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide is CCCC(CCBr)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FWPLNKAJKZIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-2-3-9(4-5-11)6-14-17(15,16)10-7-12-13-8-10/h7-9,14H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide?
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).