N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide

C20H12ClN3O3S — CID 2805884

IUPACN-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H12ClN3O3S/c21-16-4-6-17(7-5-16)24-28(25,26)19-10-8-18(9-11-19)27-20-14(12-22)2-1-3-15(20)13-23/h1-11,24H
InChIKeyZYIZUKLWBDRLLP-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide

N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide (PubChem CID 2805884) has the molecular formula C20H12ClN3O3S and a molecular weight of 409.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide
PubChem CID2805884
Molecular FormulaC20H12ClN3O3S
Molecular Weight409.85 g/mol
Exact Mass409.03
IUPAC NameN-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H12ClN3O3S/c21-16-4-6-17(7-5-16)24-28(25,26)19-10-8-18(9-11-19)27-20-14(12-22)2-1-3-15(20)13-23/h1-11,24H
InChIKeyZYIZUKLWBDRLLP-UHFFFAOYSA-N
XLogP4.68
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide (CID 2805884) is N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide?
The InChIKey is ZYIZUKLWBDRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3S/c21-16-4-6-17(7-5-16)24-28(25,26)19-10-8-18(9-11-19)27-20-14(12-22)2-1-3-15(20)13-23/h1-11,24H.
What are the key properties of N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide?
N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide has a molecular weight of 409.85 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide is sourced from PubChem (CID 2805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).