2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H22Cl2N2O4S — CID 43873766

IUPAC2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C24H22Cl2N2O4S/c25-17-8-10-18(11-9-17)28-33(30,31)19-12-13-23(21(26)14-19)32-15-24(29)27-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-14,22,28H,3,5,7,15H2,(H,27,29)
InChIKeyZSQKSUJMLLKGLQ-UHFFFAOYSA-N
MW505.42 g/mol
LogP5.37
Rot. Bonds7

About 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43873766) has the molecular formula C24H22Cl2N2O4S and a molecular weight of 505.42 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43873766
Molecular FormulaC24H22Cl2N2O4S
Molecular Weight505.42 g/mol
Exact Mass504.07
IUPAC Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C24H22Cl2N2O4S/c25-17-8-10-18(11-9-17)28-33(30,31)19-12-13-23(21(26)14-19)32-15-24(29)27-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-14,22,28H,3,5,7,15H2,(H,27,29)
InChIKeyZSQKSUJMLLKGLQ-UHFFFAOYSA-N
XLogP5.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873726
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556053
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556462
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556467
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873518
2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873545
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25493489
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43873766) is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NC1CCCc2ccccc21.
What is the InChIKey of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZSQKSUJMLLKGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4S/c25-17-8-10-18(11-9-17)28-33(30,31)19-12-13-23(21(26)14-19)32-15-24(29)27-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-14,22,28H,3,5,7,15H2,(H,27,29).
What are the key properties of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 505.42 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43873766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).