N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

C18H22ClNO2S — CID 19680910

IUPACN-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H22ClNO2S/c1-12-10-13(2)15(4)18(14(12)3)23(21,22)20-9-8-16-6-5-7-17(19)11-16/h5-7,10-11,20H,8-9H2,1-4H3
InChIKeyAFPRFJSOKCYYAM-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 19680910) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID19680910
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H22ClNO2S/c1-12-10-13(2)15(4)18(14(12)3)23(21,22)20-9-8-16-6-5-7-17(19)11-16/h5-7,10-11,20H,8-9H2,1-4H3
InChIKeyAFPRFJSOKCYYAM-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide 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

4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 61108348
N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
CID 173149770
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35309914
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 19680910) is N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCc2cccc(Cl)c2)c1C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is AFPRFJSOKCYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-12-10-13(2)15(4)18(14(12)3)23(21,22)20-9-8-16-6-5-7-17(19)11-16/h5-7,10-11,20H,8-9H2,1-4H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 351.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 19680910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).