N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C22H17ClF4N2O4S — CID 4840754

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C22H17ClF4N2O4S/c1-2-29(13-6-4-3-5-7-13)34(31,32)14-8-9-15(23)18(10-14)28-19(30)12-33-22-20(26)16(24)11-17(25)21(22)27/h3-11H,2,12H2,1H3,(H,28,30)
InChIKeyJTQQNCSWNRVQIA-UHFFFAOYSA-N
MW516.90 g/mol
LogP5.13
Rot. Bonds8

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 4840754) has the molecular formula C22H17ClF4N2O4S and a molecular weight of 516.90 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID4840754
Molecular FormulaC22H17ClF4N2O4S
Molecular Weight516.90 g/mol
Exact Mass516.05
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C22H17ClF4N2O4S/c1-2-29(13-6-4-3-5-7-13)34(31,32)14-8-9-15(23)18(10-14)28-19(30)12-33-22-20(26)16(24)11-17(25)21(22)27/h3-11H,2,12H2,1H3,(H,28,30)
InChIKeyJTQQNCSWNRVQIA-UHFFFAOYSA-N
XLogP5.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide 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-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 3983951
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3591445
[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 16575734
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3902938
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2594382
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587626
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 4840754) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is JTQQNCSWNRVQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N2O4S/c1-2-29(13-6-4-3-5-7-13)34(31,32)14-8-9-15(23)18(10-14)28-19(30)12-33-22-20(26)16(24)11-17(25)21(22)27/h3-11H,2,12H2,1H3,(H,28,30).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 516.90 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 4840754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).