N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide

C26H20N2O3S — CID 132502971

IUPACN-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O3S/c27-19-21-11-17-26(18-12-21)32(29,30)28(20-22-7-3-1-4-8-22)23-13-15-25(16-14-23)31-24-9-5-2-6-10-24/h1-18H,20H2
InChIKeyOQFCKLHYKFQRFF-UHFFFAOYSA-N
MW440.52 g/mol
LogP5.75
Rot. Bonds7

About N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide

N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 132502971) has the molecular formula C26H20N2O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID132502971
Molecular FormulaC26H20N2O3S
Molecular Weight440.52 g/mol
Exact Mass440.12
IUPAC NameN-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O3S/c27-19-21-11-17-26(18-12-21)32(29,30)28(20-22-7-3-1-4-8-22)23-13-15-25(16-14-23)31-24-9-5-2-6-10-24/h1-18H,20H2
InChIKeyOQFCKLHYKFQRFF-UHFFFAOYSA-N
XLogP5.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
CID 4825964
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182359
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 47063208
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
4-(4-benzylphenoxy)benzonitrile
CID 134587761
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
(2S)-2-[benzyl-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]amino]-N-methylpropanamide
CID 100566557

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide (CID 132502971) is N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is OQFCKLHYKFQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S/c27-19-21-11-17-26(18-12-21)32(29,30)28(20-22-7-3-1-4-8-22)23-13-15-25(16-14-23)31-24-9-5-2-6-10-24/h1-18H,20H2.
What are the key properties of N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 440.52 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 132502971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).