N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide

C22H24N2O3S — CID 112988919

IUPACN-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-16-28(25,26)24-21-10-8-19(9-11-21)23-20-12-14-22(15-13-20)27-17-18-6-4-3-5-7-18/h3-15,23-24H,2,16-17H2,1H3
InChIKeyWBDHJMGLJSOHCQ-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.16
Rot. Bonds9

About N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide

N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide (PubChem CID 112988919) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
PubChem CID112988919
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-16-28(25,26)24-21-10-8-19(9-11-21)23-20-12-14-22(15-13-20)27-17-18-6-4-3-5-7-18/h3-15,23-24H,2,16-17H2,1H3
InChIKeyWBDHJMGLJSOHCQ-UHFFFAOYSA-N
XLogP5.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide 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

N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
1-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 46778123
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide (CID 112988919) is N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide?
The InChIKey is WBDHJMGLJSOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-2-16-28(25,26)24-21-10-8-19(9-11-21)23-20-12-14-22(15-13-20)27-17-18-6-4-3-5-7-18/h3-15,23-24H,2,16-17H2,1H3.
What are the key properties of N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide?
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).