1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol

C15H18N2O3S — CID 3063463

IUPAC1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(18)10-17-13-4-8-15(9-5-13)21(19,20)14-6-2-12(16)3-7-14/h2-9,11,17-18H,10,16H2,1H3
InChIKeyLINUNRGIGNMAIG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol

1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol (PubChem CID 3063463) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol
PubChem CID3063463
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(18)10-17-13-4-8-15(9-5-13)21(19,20)14-6-2-12(16)3-7-14/h2-9,11,17-18H,10,16H2,1H3
InChIKeyLINUNRGIGNMAIG-UHFFFAOYSA-N
XLogP1.89
TPSA92.42 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 ≤ 51.89
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 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol?
The IUPAC name of 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol (CID 3063463) is 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol.
What is the SMILES notation for 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol?
The canonical SMILES for 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol is CC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol?
The InChIKey is LINUNRGIGNMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(18)10-17-13-4-8-15(9-5-13)21(19,20)14-6-2-12(16)3-7-14/h2-9,11,17-18H,10,16H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol?
1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol has a molecular weight of 306.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol is sourced from PubChem (CID 3063463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).