2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

C22H17Cl2F3N2O4S — CID 43916851

IUPAC2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17Cl2F3N2O4S/c1-13(33-17-4-2-3-14(23)11-17)21(30)28-15-5-8-18(9-6-15)34(31,32)29-16-7-10-20(24)19(12-16)22(25,26)27/h2-13,29H,1H3,(H,28,30)
InChIKeyJNHJJOXRFKUMJW-UHFFFAOYSA-N
MW533.36 g/mol
LogP6.22
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (PubChem CID 43916851) has the molecular formula C22H17Cl2F3N2O4S and a molecular weight of 533.36 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
PubChem CID43916851
Molecular FormulaC22H17Cl2F3N2O4S
Molecular Weight533.36 g/mol
Exact Mass532.02
IUPAC Name2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17Cl2F3N2O4S/c1-13(33-17-4-2-3-14(23)11-17)21(30)28-15-5-8-18(9-6-15)34(31,32)29-16-7-10-20(24)19(12-16)22(25,26)27/h2-13,29H,1H3,(H,28,30)
InChIKeyJNHJJOXRFKUMJW-UHFFFAOYSA-N
XLogP6.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.36
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 43910204
(2S)-2-(3-chlorophenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 41294270
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
(2S)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 99942375
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (CID 43916851) is 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The InChIKey is JNHJJOXRFKUMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O4S/c1-13(33-17-4-2-3-14(23)11-17)21(30)28-15-5-8-18(9-6-15)34(31,32)29-16-7-10-20(24)19(12-16)22(25,26)27/h2-13,29H,1H3,(H,28,30).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide has a molecular weight of 533.36 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 43916851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).