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

C16H20N2O3S — CID 112987552

IUPACN-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-12-22(19,20)18-15-6-4-13(5-7-15)17-14-8-10-16(21-2)11-9-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyGHEKNWUIOAOLPA-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.59
Rot. Bonds7

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

N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide (PubChem CID 112987552) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
PubChem CID112987552
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-12-22(19,20)18-15-6-4-13(5-7-15)17-14-8-10-16(21-2)11-9-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyGHEKNWUIOAOLPA-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
methyl 2-[4-(propylsulfonylamino)phenoxy]acetate
CID 61062745
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide (CID 112987552) is N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide?
The InChIKey is GHEKNWUIOAOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-12-22(19,20)18-15-6-4-13(5-7-15)17-14-8-10-16(21-2)11-9-14/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide?
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112987552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).