3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H14ClN3O2S — CID 114279782

IUPAC3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cccc(CCl)c2)n[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-2-10-7-12(15-14-10)16-19(17,18)11-5-3-4-9(6-11)8-13/h3-7H,2,8H2,1H3,(H2,14,15,16)
InChIKeyLFNLQXLVAHRBSK-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.51
Rot. Bonds5

About 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 114279782) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID114279782
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cccc(CCl)c2)n[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-2-10-7-12(15-14-10)16-19(17,18)11-5-3-4-9(6-11)8-13/h3-7H,2,8H2,1H3,(H2,14,15,16)
InChIKeyLFNLQXLVAHRBSK-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide 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-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 107652417
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 113433470
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 114279782) is 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2cccc(CCl)c2)n[nH]1.
What is the InChIKey of 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is LFNLQXLVAHRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-2-10-7-12(15-14-10)16-19(17,18)11-5-3-4-9(6-11)8-13/h3-7H,2,8H2,1H3,(H2,14,15,16).
What are the key properties of 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 114279782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).