(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C18H20ClFN2O4S — CID 8579900

IUPAC(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-11(2)22-27(24,25)15-7-4-13(5-8-15)21-18(23)12(3)26-14-6-9-17(20)16(19)10-14/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyFOINADMWMKMZRV-GFCCVEGCSA-N
MW414.89 g/mol
LogP3.57
Rot. Bonds7

About (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 8579900) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID8579900
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-11(2)22-27(24,25)15-7-4-13(5-8-15)21-18(23)12(3)26-14-6-9-17(20)16(19)10-14/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyFOINADMWMKMZRV-GFCCVEGCSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2R)-2-(4-acetylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7763890
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 134007931
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 8579900) is (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FOINADMWMKMZRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-11(2)22-27(24,25)15-7-4-13(5-8-15)21-18(23)12(3)26-14-6-9-17(20)16(19)10-14/h4-12,22H,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8579900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).