N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide

C8H14ClN3O2S — CID 102694053

IUPACN-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(Cl)CC(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-6(9)5-7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11)
InChIKeyLEJQEOMGBAJYIH-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.09
Rot. Bonds5

About N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide

N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102694053) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102694053
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(Cl)CC(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-6(9)5-7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11)
InChIKeyLEJQEOMGBAJYIH-UHFFFAOYSA-N
XLogP1.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.09
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-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691738
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102694053) is N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide is CC(Cl)CC(C)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LEJQEOMGBAJYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-6(9)5-7(2)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,5H2,1-2H3,(H,10,11).
What are the key properties of N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).