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

C19H14N2O3S — CID 40604675

IUPAC3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H14N2O3S/c20-14-15-5-4-8-19(13-15)25(22,23)21-16-9-11-18(12-10-16)24-17-6-2-1-3-7-17/h1-13,21H
InChIKeyLTRGDRINTLPHRU-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.15
Rot. Bonds5

About 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide

3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 40604675) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID40604675
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H14N2O3S/c20-14-15-5-4-8-19(13-15)25(22,23)21-16-9-11-18(12-10-16)24-17-6-2-1-3-7-17/h1-13,21H
InChIKeyLTRGDRINTLPHRU-UHFFFAOYSA-N
XLogP4.15
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
CID 5239673

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide (CID 40604675) is 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is LTRGDRINTLPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c20-14-15-5-4-8-19(13-15)25(22,23)21-16-9-11-18(12-10-16)24-17-6-2-1-3-7-17/h1-13,21H.
What are the key properties of 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide?
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 40604675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).