N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide

C12H20N2O3S — CID 57166423

IUPACN-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-8-18(16,17)14-9-12(2,15)10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9,13H2,1-2H3
InChIKeyYNUDPTDEGAJSCP-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.81
Rot. Bonds6

About N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide

N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide (PubChem CID 57166423) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
PubChem CID57166423
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-8-18(16,17)14-9-12(2,15)10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9,13H2,1-2H3
InChIKeyYNUDPTDEGAJSCP-UHFFFAOYSA-N
XLogP0.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 65104149
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
3-cyano-N-(2-hydroxy-2-phenylpropyl)propane-1-sulfonamide
CID 71911317
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 111448426
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110309069
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide (CID 57166423) is N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(O)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide?
The InChIKey is YNUDPTDEGAJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-8-18(16,17)14-9-12(2,15)10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9,13H2,1-2H3.
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide?
N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide is sourced from PubChem (CID 57166423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).