N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide

C9H16ClN3O2S — CID 107158333

IUPACN-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16ClN3O2S/c1-7(2)3-8(10)4-13-16(14,15)9-5-11-12-6-9/h5-8,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyMXWMWKAEDOQNGW-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.34
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide

N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107158333) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
PubChem CID107158333
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16ClN3O2S/c1-7(2)3-8(10)4-13-16(14,15)9-5-11-12-6-9/h5-8,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyMXWMWKAEDOQNGW-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.34
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-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
CID 81066688

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide (CID 107158333) is N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide is CC(C)CC(Cl)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MXWMWKAEDOQNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-7(2)3-8(10)4-13-16(14,15)9-5-11-12-6-9/h5-8,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107158333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).