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

C22H18Cl3N3O5S — CID 71458394

IUPAC2,4-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)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl3N3O5S/c1-12-8-15(34(26,31)32)4-6-18(12)27-21(29)11-33-20-7-3-14(24)10-19(20)28-22(30)16-5-2-13(23)9-17(16)25/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyFPLYIVXFSTXXSI-UHFFFAOYSA-N
MW542.83 g/mol
LogP4.87
Rot. Bonds7

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

2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 71458394) has the molecular formula C22H18Cl3N3O5S and a molecular weight of 542.83 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide
PubChem CID71458394
Molecular FormulaC22H18Cl3N3O5S
Molecular Weight542.83 g/mol
Exact Mass541.00
IUPAC Name2,4-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)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl3N3O5S/c1-12-8-15(34(26,31)32)4-6-18(12)27-21(29)11-33-20-7-3-14(24)10-19(20)28-22(30)16-5-2-13(23)9-17(16)25/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyFPLYIVXFSTXXSI-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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide (CID 71458394) is 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2,4-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)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is FPLYIVXFSTXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N3O5S/c1-12-8-15(34(26,31)32)4-6-18(12)27-21(29)11-33-20-7-3-14(24)10-19(20)28-22(30)16-5-2-13(23)9-17(16)25/h2-10H,11H2,1H3,(H,27,29)(H,28,30)(H2,26,31,32).
What are the key properties of 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide?
2,4-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 2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 71458394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).