2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol

C15H18N2O3S — CID 86201347

IUPAC2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol
SMILESNCCCc1ccc(S(=O)(=O)c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C15H18N2O3S/c16-9-1-2-11-3-8-15(14(18)10-11)21(19,20)13-6-4-12(17)5-7-13/h3-8,10,18H,1-2,9,16-17H2
InChIKeyOHPYGSFBUJZPGS-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol

2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol (PubChem CID 86201347) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol
PubChem CID86201347
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol
SMILESNCCCc1ccc(S(=O)(=O)c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C15H18N2O3S/c16-9-1-2-11-3-8-15(14(18)10-11)21(19,20)13-6-4-12(17)5-7-13/h3-8,10,18H,1-2,9,16-17H2
InChIKeyOHPYGSFBUJZPGS-UHFFFAOYSA-N
XLogP1.70
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol (CID 86201347) is 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol is NCCCc1ccc(S(=O)(=O)c2ccc(N)cc2)c(O)c1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol?
The InChIKey is OHPYGSFBUJZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-9-1-2-11-3-8-15(14(18)10-11)21(19,20)13-6-4-12(17)5-7-13/h3-8,10,18H,1-2,9,16-17H2.
What are the key properties of 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol?
2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol has a molecular weight of 306.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-5-(3-aminopropyl)phenol is sourced from PubChem (CID 86201347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).