3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide

C22H18Cl3N3O5S — CID 71456540

IUPAC3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H18Cl3N3O5S/c1-12-6-17(34(26,31)32)3-4-18(12)27-21(29)11-33-20-5-2-14(23)10-19(20)28-22(30)13-7-15(24)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyUXKCBYBPCJJROA-UHFFFAOYSA-N
MW542.83 g/mol
LogP4.87
Rot. Bonds7

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

3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 71456540) has the molecular formula C22H18Cl3N3O5S and a molecular weight of 542.83 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide
PubChem CID71456540
Molecular FormulaC22H18Cl3N3O5S
Molecular Weight542.83 g/mol
Exact Mass541.00
IUPAC Name3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H18Cl3N3O5S/c1-12-6-17(34(26,31)32)3-4-18(12)27-21(29)11-33-20-5-2-14(23)10-19(20)28-22(30)13-7-15(24)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyUXKCBYBPCJJROA-UHFFFAOYSA-N
XLogP4.87
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.83
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, N-(4-(aminosulfonyl)-2-methylphenyl)-2-(4-chloro-2-(3-fluoro-5-(trifluoromethyl)benzoyl)phenoxy)-
CID 486517
GW-678248
CID 486532
Gw-695634
CID 9916697
2-[4-chloro-2-(3-cyano-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486530
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
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2-nitro-benzamide
CID 71458392
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,4-dimethyl-benzamide
CID 71458393
3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-benzamide
CID 71458396
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3-nitro-benzamide
CID 71461955
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide (CID 71456540) is 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is UXKCBYBPCJJROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N3O5S/c1-12-6-17(34(26,31)32)3-4-18(12)27-21(29)11-33-20-5-2-14(23)10-19(20)28-22(30)13-7-15(24)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32).
What are the key properties of 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 542.83 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 71456540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).