N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H20ClN3O2S — CID 114149847

IUPACN-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H20ClN3O2S/c1-9-10(7-13-15-9)18(16,17)14-8-11(2,3)5-4-6-12/h7,14H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyUGNNSIREPYJALA-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.04
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114149847) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114149847
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H20ClN3O2S/c1-9-10(7-13-15-9)18(16,17)14-8-11(2,3)5-4-6-12/h7,14H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyUGNNSIREPYJALA-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2,2-dimethylpentyl)-5-methyl-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

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-[2-(chloromethyl)-2-ethylbutyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106256173
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 79350868
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122
4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
CID 114172640

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114149847) is N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UGNNSIREPYJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-9-10(7-13-15-9)18(16,17)14-8-11(2,3)5-4-6-12/h7,14H,4-6,8H2,1-3H3,(H,13,15).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114149847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).