N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide

C8H14ClN3O2S — CID 102693924

IUPACN-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,4,6H2,1-2H3,(H,10,11)
InChIKeyAHPKQYVMNBHKJL-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.05
Rot. Bonds5

About N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide

N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide (PubChem CID 102693924) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
PubChem CID102693924
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC NameN-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,4,6H2,1-2H3,(H,10,11)
InChIKeyAHPKQYVMNBHKJL-UHFFFAOYSA-N
XLogP1.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-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

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692171
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692869
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102693131
N-(2,2-difluoroethyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102693410
N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 105935996
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107492898
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107493091

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide (CID 102693924) is N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide is CC(C)N(CCCl)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is AHPKQYVMNBHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).