2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide

C22H20BrFN2O3S — CID 146022702

IUPAC2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(Br)c2F)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-2-26(18-8-4-3-5-9-18)30(28,29)19-13-11-17(12-14-19)25-21(27)15-16-7-6-10-20(23)22(16)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyMWHHMZUQOJRYEQ-UHFFFAOYSA-N
MW491.38 g/mol
LogP4.98
Rot. Bonds7

About 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide

2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 146022702) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID146022702
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(Br)c2F)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-2-26(18-8-4-3-5-9-18)30(28,29)19-13-11-17(12-14-19)25-21(27)15-16-7-6-10-20(23)22(16)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyMWHHMZUQOJRYEQ-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]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-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide
CID 2224207
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
6-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42935051

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide (CID 146022702) is 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(Br)c2F)cc1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is MWHHMZUQOJRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-2-26(18-8-4-3-5-9-18)30(28,29)19-13-11-17(12-14-19)25-21(27)15-16-7-6-10-20(23)22(16)24/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 491.38 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 146022702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).