2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide

C21H17ClF2N2O4S — CID 164596527

IUPAC2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1COc1ccc(F)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c22-19-8-4-16(24)9-14(19)10-21(27)26-17-5-1-13(20(11-17)31(25,28)29)12-30-18-6-2-15(23)3-7-18/h1-9,11H,10,12H2,(H,26,27)(H2,25,28,29)
InChIKeyWZBFYWBYYVIKGW-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.03
Rot. Bonds7

About 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide

2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide (PubChem CID 164596527) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
PubChem CID164596527
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1COc1ccc(F)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c22-19-8-4-16(24)9-14(19)10-21(27)26-17-5-1-13(20(11-17)31(25,28)29)12-30-18-6-2-15(23)3-7-18/h1-9,11H,10,12H2,(H,26,27)(H2,25,28,29)
InChIKeyWZBFYWBYYVIKGW-UHFFFAOYSA-N
XLogP4.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide with MolForge

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Related Compounds

N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 167200778
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200135
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596481
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chloro-6-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596477
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-5-sulfamoylphenyl)acetamide
CID 167215417

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide (CID 164596527) is 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1COc1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide?
The InChIKey is WZBFYWBYYVIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c22-19-8-4-16(24)9-14(19)10-21(27)26-17-5-1-13(20(11-17)31(25,28)29)12-30-18-6-2-15(23)3-7-18/h1-9,11H,10,12H2,(H,26,27)(H2,25,28,29).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide?
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide has a molecular weight of 466.89 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 164596527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).