N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide

C9H14BrN3O2S — CID 106367494

IUPACN-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1ccn[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-6-7-2-1-3-8(7)13-16(14,15)9-4-5-11-12-9/h4-5,7-8,13H,1-3,6H2,(H,11,12)
InChIKeyKFWGWZCOWRFTTH-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide

N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106367494) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
PubChem CID106367494
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1ccn[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-6-7-2-1-3-8(7)13-16(14,15)9-4-5-11-12-9/h4-5,7-8,13H,1-3,6H2,(H,11,12)
InChIKeyKFWGWZCOWRFTTH-UHFFFAOYSA-N
XLogP1.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.25
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-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162
N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102739144
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(2-methylcyclopropyl)-1H-pyrazole-5-sulfonamide
CID 102692944
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 114179797
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106367456

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide (CID 106367494) is N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCCC1CBr)c1ccn[nH]1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is KFWGWZCOWRFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c10-6-7-2-1-3-8(7)13-16(14,15)9-4-5-11-12-9/h4-5,7-8,13H,1-3,6H2,(H,11,12).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide?
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106367494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).