4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide

C22H20N2O3S — CID 44586247

IUPAC4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c23-16-18-8-12-21(13-9-18)28(26,27)24-15-14-17-6-10-20(11-7-17)22(25)19-4-2-1-3-5-19/h1-13,22,24-25H,14-15H2
InChIKeySEEKXMUMAGSBBK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.16
Rot. Bonds7

About 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide

4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide (PubChem CID 44586247) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide
PubChem CID44586247
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c23-16-18-8-12-21(13-9-18)28(26,27)24-15-14-17-6-10-20(11-7-17)22(25)19-4-2-1-3-5-19/h1-13,22,24-25H,14-15H2
InChIKeySEEKXMUMAGSBBK-UHFFFAOYSA-N
XLogP3.16
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide (CID 44586247) is 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccc(C(O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is SEEKXMUMAGSBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c23-16-18-8-12-21(13-9-18)28(26,27)24-15-14-17-6-10-20(11-7-17)22(25)19-4-2-1-3-5-19/h1-13,22,24-25H,14-15H2.
What are the key properties of 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide?
4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[4-[hydroxy(phenyl)methyl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 44586247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).