N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H18BrN3O2S — CID 106367456

IUPACN-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC1CBr
InChIInChI=1S/C11H18BrN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-4-9(10)6-12/h9-10,15H,3-6H2,1-2H3,(H,13,14)
InChIKeySRSSVYPIHQNPRK-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 106367456) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID106367456
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC1CBr
InChIInChI=1S/C11H18BrN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-4-9(10)6-12/h9-10,15H,3-6H2,1-2H3,(H,13,14)
InChIKeySRSSVYPIHQNPRK-UHFFFAOYSA-N
XLogP1.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.87
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-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62088808
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-sulfonamide
CID 62409421
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
3,5-dimethyl-N-(4-methylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 63329703
3,5-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 124516985
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
3,5-dimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 72716268
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
N-(1-bromo-2-methylpropan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 114298583
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031148
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237040

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 106367456) is N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SRSSVYPIHQNPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-4-9(10)6-12/h9-10,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.87, 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]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106367456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).