2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide

C11H11ClN4O4S — CID 104620991

IUPAC2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H11ClN4O4S/c1-2-7-6-13-14-11(7)15-21(19,20)10-4-3-8(16(17)18)5-9(10)12/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyZEMKTCYVVPNDEJ-UHFFFAOYSA-N
MW330.75 g/mol
LogP2.33
Rot. Bonds5

About 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide

2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide (PubChem CID 104620991) has the molecular formula C11H11ClN4O4S and a molecular weight of 330.75 g/mol. Its IUPAC name is 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
PubChem CID104620991
Molecular FormulaC11H11ClN4O4S
Molecular Weight330.75 g/mol
Exact Mass330.02
IUPAC Name2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H11ClN4O4S/c1-2-7-6-13-14-11(7)15-21(19,20)10-4-3-8(16(17)18)5-9(10)12/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyZEMKTCYVVPNDEJ-UHFFFAOYSA-N
XLogP2.33
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide 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

2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
2-chloro-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531114
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-nitrobenzenesulfonamide
CID 62519819
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
CID 29054211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide (CID 104620991) is 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide?
The InChIKey is ZEMKTCYVVPNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4S/c1-2-7-6-13-14-11(7)15-21(19,20)10-4-3-8(16(17)18)5-9(10)12/h3-6H,2H2,1H3,(H2,13,14,15).
What are the key properties of 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide?
2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide has a molecular weight of 330.75 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 104620991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).