N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide

C12H14ClN3O3S — CID 126823958

IUPACN-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O3S/c1-3-19-9-4-6-10(7-5-9)20(17,18)15-11-8-14-16(2)12(11)13/h4-8,15H,3H2,1-2H3
InChIKeyJYBQCLWAHFBIJX-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.27
Rot. Bonds5

About N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide

N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide (PubChem CID 126823958) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
PubChem CID126823958
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC NameN-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O3S/c1-3-19-9-4-6-10(7-5-9)20(17,18)15-11-8-14-16(2)12(11)13/h4-8,15H,3H2,1-2H3
InChIKeyJYBQCLWAHFBIJX-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide 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-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide (CID 126823958) is N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnn(C)c2Cl)cc1.
What is the InChIKey of N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is JYBQCLWAHFBIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-3-19-9-4-6-10(7-5-9)20(17,18)15-11-8-14-16(2)12(11)13/h4-8,15H,3H2,1-2H3.
What are the key properties of N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide?
N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 126823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).