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

C21H18BrClN2O4S — CID 21079568

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C21H18BrClN2O4S/c1-13-2-3-14(10-19(13)29-20-12-15(23)4-9-18(20)22)11-21(26)25-16-5-7-17(8-6-16)30(24,27)28/h2-10,12H,11H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyOHJBQLZITLAYQG-UHFFFAOYSA-N
MW509.81 g/mol
LogP5.03
Rot. Bonds6

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

2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079568) has the molecular formula C21H18BrClN2O4S and a molecular weight of 509.81 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079568
Molecular FormulaC21H18BrClN2O4S
Molecular Weight509.81 g/mol
Exact Mass507.99
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C21H18BrClN2O4S/c1-13-2-3-14(10-19(13)29-20-12-15(23)4-9-18(20)22)11-21(26)25-16-5-7-17(8-6-16)30(24,27)28/h2-10,12H,11H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyOHJBQLZITLAYQG-UHFFFAOYSA-N
XLogP5.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.81
LogP ≤ 55.03
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
2-[3-bromo-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(2-bromo-4-sulfamoyl-phenyl)acetamide
CID 49768092
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079568) is 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OHJBQLZITLAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O4S/c1-13-2-3-14(10-19(13)29-20-12-15(23)4-9-18(20)22)11-21(26)25-16-5-7-17(8-6-16)30(24,27)28/h2-10,12H,11H2,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 509.81 g/mol, XLogP of 5.03, 6 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-methylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).