4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide

C20H13N3O3S — CID 2805895

IUPAC4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H13N3O3S/c21-13-15-5-4-6-16(14-22)20(15)26-18-9-11-19(12-10-18)27(24,25)23-17-7-2-1-3-8-17/h1-12,23H
InChIKeyNJLKDXWITLVCHW-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.02
Rot. Bonds5

About 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide

4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide (PubChem CID 2805895) has the molecular formula C20H13N3O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide
PubChem CID2805895
Molecular FormulaC20H13N3O3S
Molecular Weight375.41 g/mol
Exact Mass375.07
IUPAC Name4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H13N3O3S/c21-13-15-5-4-6-16(14-22)20(15)26-18-9-11-19(12-10-18)27(24,25)23-17-7-2-1-3-8-17/h1-12,23H
InChIKeyNJLKDXWITLVCHW-UHFFFAOYSA-N
XLogP4.02
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide 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

N1-phenyl-4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonamide
CID 2804738
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[2-(4-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184507
N-[2-(3-cyanophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184514
N-phenyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810595
4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide
CID 2805885
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4671033

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide (CID 2805895) is 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide?
The InChIKey is NJLKDXWITLVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3S/c21-13-15-5-4-6-16(14-22)20(15)26-18-9-11-19(12-10-18)27(24,25)23-17-7-2-1-3-8-17/h1-12,23H.
What are the key properties of 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide?
4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyanophenoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2805895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).