3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide

C23H18Cl2N4O5S — CID 71458396

IUPAC3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(C#N)c1
InChIInChI=1S/C23H18Cl2N4O5S/c1-13-6-18(35(27,32)33)3-4-19(13)28-22(30)12-34-21-5-2-16(24)10-20(21)29-23(31)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,30)(H,29,31)(H2,27,32,33)
InChIKeySSUZBIFUDPSYGO-UHFFFAOYSA-N
MW533.39 g/mol
LogP4.09
Rot. Bonds7

About 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide

3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide (PubChem CID 71458396) has the molecular formula C23H18Cl2N4O5S and a molecular weight of 533.39 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide
PubChem CID71458396
Molecular FormulaC23H18Cl2N4O5S
Molecular Weight533.39 g/mol
Exact Mass532.04
IUPAC Name3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(C#N)c1
InChIInChI=1S/C23H18Cl2N4O5S/c1-13-6-18(35(27,32)33)3-4-19(13)28-22(30)12-34-21-5-2-16(24)10-20(21)29-23(31)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,30)(H,29,31)(H2,27,32,33)
InChIKeySSUZBIFUDPSYGO-UHFFFAOYSA-N
XLogP4.09
TPSA151.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.39
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide with MolForge

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)-2-methylphenyl)-2-(4-chloro-2-(3-fluoro-5-(trifluoromethyl)benzoyl)phenoxy)-
CID 486517
GW-678248
CID 486532
2-[4-chloro-2-(3-cyano-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486530
Gw-695634
CID 9916697
2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486527
2-[4-chloro-2-(3,5-dimethylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486533
2-[4-chloro-2-(3-chloro-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486536
Acetamide, N-[4-(aminosulfonyl)-2-methylphenyl]-2-[2-[3-(trifluoromethyl)-5-cyanobenzoyl]-4-chlorophenoxy]-
CID 11555792
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide
CID 11613923
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[2-methyl-4-(methylsulfamoyl)phenyl]acetamide
CID 11649769
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3,4-dimethyl-benzamide
CID 71449415
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,5-dimethyl-benzamide
CID 71454769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide?
The IUPAC name of 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide (CID 71458396) is 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(C#N)c1.
What is the InChIKey of 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide?
The InChIKey is SSUZBIFUDPSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O5S/c1-13-6-18(35(27,32)33)3-4-19(13)28-22(30)12-34-21-5-2-16(24)10-20(21)29-23(31)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,30)(H,29,31)(H2,27,32,33).
What are the key properties of 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide?
3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide has a molecular weight of 533.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-5-cyanobenzamide is sourced from PubChem (CID 71458396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).