N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide

C22H23NO4S — CID 22459055

IUPACN-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCCCc1cc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C22H23NO4S/c1-3-6-17-15-18(11-14-21(17)24)27-22-8-5-4-7-20(22)23-28(25,26)19-12-9-16(2)10-13-19/h4-5,7-15,23-24H,3,6H2,1-2H3
InChIKeyNMQHNAPOFNKNGD-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.25
Rot. Bonds7

About N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide

N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 22459055) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID22459055
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCCCc1cc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C22H23NO4S/c1-3-6-17-15-18(11-14-21(17)24)27-22-8-5-4-7-20(22)23-28(25,26)19-12-9-16(2)10-13-19/h4-5,7-15,23-24H,3,6H2,1-2H3
InChIKeyNMQHNAPOFNKNGD-UHFFFAOYSA-N
XLogP5.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55533188
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
2-[[4-[2-(4-phenoxy-2-propylphenoxy)ethyl]phenyl]sulfonylamino]benzoic acid
CID 59263291
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
methyl 5-[3-benzyl-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 59566236

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide (CID 22459055) is N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide is CCCc1cc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)ccc1O.
What is the InChIKey of N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is NMQHNAPOFNKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-3-6-17-15-18(11-14-21(17)24)27-22-8-5-4-7-20(22)23-28(25,26)19-12-9-16(2)10-13-19/h4-5,7-15,23-24H,3,6H2,1-2H3.
What are the key properties of N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22459055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).