2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide

C19H12Cl2N2O4S — CID 21487309

IUPAC2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)c(Oc2cccc(Cl)c2)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C19H12Cl2N2O4S/c20-13-3-1-5-15(8-13)26-17-10-18(27-16-6-2-4-14(21)9-16)19(28(23,24)25)7-12(17)11-22/h1-10H,(H2,23,24,25)
InChIKeyPVFKKZKQKZVYFS-UHFFFAOYSA-N
MW435.29 g/mol
LogP5.10
Rot. Bonds5

About 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide

2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide (PubChem CID 21487309) has the molecular formula C19H12Cl2N2O4S and a molecular weight of 435.29 g/mol. Its IUPAC name is 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
PubChem CID21487309
Molecular FormulaC19H12Cl2N2O4S
Molecular Weight435.29 g/mol
Exact Mass433.99
IUPAC Name2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)c(Oc2cccc(Cl)c2)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C19H12Cl2N2O4S/c20-13-3-1-5-15(8-13)26-17-10-18(27-16-6-2-4-14(21)9-16)19(28(23,24)25)7-12(17)11-22/h1-10H,(H2,23,24,25)
InChIKeyPVFKKZKQKZVYFS-UHFFFAOYSA-N
XLogP5.10
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.29
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
4-acetyl-2-(3-chlorophenoxy)benzonitrile
CID 146268738
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
5-amino-2-(3-cyanophenoxy)benzenesulfonamide
CID 78985266
4-chloro-2-phenoxybenzonitrile
CID 63093062
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-chloro-4-(3-methoxyphenoxy)-5-sulfamoylbenzenesulfonate
CID 21312252
N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide
CID 176652448
5-(3,4-dicyanophenoxy)naphthalene-1-sulfonic acid
CID 86233834
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide?
The IUPAC name of 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide (CID 21487309) is 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide?
The canonical SMILES for 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide is N#Cc1cc(S(N)(=O)=O)c(Oc2cccc(Cl)c2)cc1Oc1cccc(Cl)c1.
What is the InChIKey of 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide?
The InChIKey is PVFKKZKQKZVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O4S/c20-13-3-1-5-15(8-13)26-17-10-18(27-16-6-2-4-14(21)9-16)19(28(23,24)25)7-12(17)11-22/h1-10H,(H2,23,24,25).
What are the key properties of 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide?
2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide has a molecular weight of 435.29 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide is sourced from PubChem (CID 21487309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).