N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide

C12H13Cl2N3O2S — CID 47268025

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-8(11-4-3-9(13)5-12(11)14)17(2)20(18,19)10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)
InChIKeyKGAJDYJVIWZOLF-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 47268025) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID47268025
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-8(11-4-3-9(13)5-12(11)14)17(2)20(18,19)10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)
InChIKeyKGAJDYJVIWZOLF-UHFFFAOYSA-N
XLogP3.10
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,4-dichlorophenyl)ethyl]-N-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

N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
CID 60745550
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 164639260
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46588668
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 62980507
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 47268025) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide is CC(c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KGAJDYJVIWZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-8(11-4-3-9(13)5-12(11)14)17(2)20(18,19)10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 334.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).