N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide

C10H18BrN3O2S — CID 107158132

IUPACN-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CC(Br)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18BrN3O2S/c1-10(2,3)4-8(11)5-14-17(15,16)9-6-12-13-7-9/h6-8,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyZFMDUTPDHYECRE-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.89
Rot. Bonds5

About N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide

N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107158132) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
PubChem CID107158132
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CC(Br)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18BrN3O2S/c1-10(2,3)4-8(11)5-14-17(15,16)9-6-12-13-7-9/h6-8,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyZFMDUTPDHYECRE-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-bromo-4,4-dimethylpentyl)-4-fluorobenzenesulfonamide
CID 107158082
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158333
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 66171038
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide (CID 107158132) is N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide is CC(C)(C)CC(Br)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZFMDUTPDHYECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-10(2,3)4-8(11)5-14-17(15,16)9-6-12-13-7-9/h6-8,14H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107158132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).