3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide

C25H18N2O3S — CID 68657852

IUPAC3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H18N2O3S/c26-18-20-17-22(31(28,29)27-21-11-5-2-6-12-21)15-16-24(20)30-25-14-8-7-13-23(25)19-9-3-1-4-10-19/h1-17,27H
InChIKeyYUJJRWFLMGZDOR-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.82
Rot. Bonds6

About 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide

3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 68657852) has the molecular formula C25H18N2O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID68657852
Molecular FormulaC25H18N2O3S
Molecular Weight426.50 g/mol
Exact Mass426.10
IUPAC Name3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H18N2O3S/c26-18-20-17-22(31(28,29)27-21-11-5-2-6-12-21)15-16-24(20)30-25-14-8-7-13-23(25)19-9-3-1-4-10-19/h1-17,27H
InChIKeyYUJJRWFLMGZDOR-UHFFFAOYSA-N
XLogP5.82
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, 4-(2,6-dicyanophenoxy)-N-phenyl-
CID 2805895
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-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012
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-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
N-phenyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810595

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide (CID 68657852) is 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is YUJJRWFLMGZDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3S/c26-18-20-17-22(31(28,29)27-21-11-5-2-6-12-21)15-16-24(20)30-25-14-8-7-13-23(25)19-9-3-1-4-10-19/h1-17,27H.
What are the key properties of 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 426.50 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 68657852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).