N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide

C22H21NO4S — CID 175145699

IUPACN-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/C(O)COc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c24-20(17-27-21-10-3-1-4-11-21)15-14-18-8-7-9-19(16-18)23-28(25,26)22-12-5-2-6-13-22/h1-16,20,23-24H,17H2/b15-14+
InChIKeyQGRQKRRGSQPSEB-CCEZHUSRSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds8

About N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide

N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide (PubChem CID 175145699) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
PubChem CID175145699
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/C(O)COc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c24-20(17-27-21-10-3-1-4-11-21)15-14-18-8-7-9-19(16-18)23-28(25,26)22-12-5-2-6-13-22/h1-16,20,23-24H,17H2/b15-14+
InChIKeyQGRQKRRGSQPSEB-CCEZHUSRSA-N
XLogP3.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide (CID 175145699) is N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(/C=C/C(O)COc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide?
The InChIKey is QGRQKRRGSQPSEB-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H21NO4S/c24-20(17-27-21-10-3-1-4-11-21)15-14-18-8-7-9-19(16-18)23-28(25,26)22-12-5-2-6-13-22/h1-16,20,23-24H,17H2/b15-14+.
What are the key properties of N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide?
N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175145699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).