N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide

C22H18N2O3S — CID 59313645

IUPACN-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C22H18N2O3S/c23-15-18-14-17(8-13-22(18)24-28(25,26)21-11-12-21)16-6-9-20(10-7-16)27-19-4-2-1-3-5-19/h1-10,13-14,21,24H,11-12H2
InChIKeyNSFVOHXOZYQLJF-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.92
Rot. Bonds6

About N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide

N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide (PubChem CID 59313645) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide
PubChem CID59313645
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C22H18N2O3S/c23-15-18-14-17(8-13-22(18)24-28(25,26)21-11-12-21)16-6-9-20(10-7-16)27-19-4-2-1-3-5-19/h1-10,13-14,21,24H,11-12H2
InChIKeyNSFVOHXOZYQLJF-UHFFFAOYSA-N
XLogP4.92
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide (CID 59313645) is N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide is N#Cc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide?
The InChIKey is NSFVOHXOZYQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c23-15-18-14-17(8-13-22(18)24-28(25,26)21-11-12-21)16-6-9-20(10-7-16)27-19-4-2-1-3-5-19/h1-10,13-14,21,24H,11-12H2.
What are the key properties of N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide?
N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59313645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).