2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide

C23H22BrClN2O4S — CID 21079563

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C23H22BrClN2O4S/c1-14(2)19-9-3-15(11-21(19)31-22-13-16(25)4-10-20(22)24)12-23(28)27-17-5-7-18(8-6-17)32(26,29)30/h3-11,13-14H,12H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyCGLQZLLESTVCJJ-UHFFFAOYSA-N
MW537.86 g/mol
LogP5.85
Rot. Bonds7

About 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079563) has the molecular formula C23H22BrClN2O4S and a molecular weight of 537.86 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079563
Molecular FormulaC23H22BrClN2O4S
Molecular Weight537.86 g/mol
Exact Mass536.02
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C23H22BrClN2O4S/c1-14(2)19-9-3-15(11-21(19)31-22-13-16(25)4-10-20(22)24)12-23(28)27-17-5-7-18(8-6-17)32(26,29)30/h3-11,13-14H,12H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyCGLQZLLESTVCJJ-UHFFFAOYSA-N
XLogP5.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.86
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 11599486
Elsulfavirine
CID 11527519
Elsulfavirine sodium
CID 46175184
2-[4-(2-bromo-5-chloro-phenoxy)-3-chloro-phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768047
N-(2-bromo-4-sulfamoyl-phenyl)-2-[4-(3-chloro-5-cyano-phenoxy)-2,3-dimethyl-phenyl]acetamide
CID 49768075
2-[3-bromo-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768088
2-[3-bromo-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 49768089
N-(2-bromo-4-sulfamoyl-phenyl)-2-[4-(3-chloro-5-cyano-phenoxy)-3-methoxy-phenyl]acetamide
CID 49768095
2-[3-bromo-4-(4-cyano-2-methyl-phenoxy)phenyl]-N-(2-chloro-4-sulfamoyl-phenyl)acetamide
CID 49768102
Sodium [4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonyl-ethylazanide
CID 129669865
2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 11511778
2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 11584831

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079563) is 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is CGLQZLLESTVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN2O4S/c1-14(2)19-9-3-15(11-21(19)31-22-13-16(25)4-10-20(22)24)12-23(28)27-17-5-7-18(8-6-17)32(26,29)30/h3-11,13-14H,12H2,1-2H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 537.86 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-5-chlorophenoxy)-4-propan-2-ylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).