4-(4-aminophenyl)sulfonylbutylurea

C11H17N3O3S — CID 54051264

IUPAC4-(4-aminophenyl)sulfonylbutylurea
SMILESNC(=O)NCCCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O3S/c12-9-3-5-10(6-4-9)18(16,17)8-2-1-7-14-11(13)15/h3-6H,1-2,7-8,12H2,(H3,13,14,15)
InChIKeyLTAJGPXOHCRTDH-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.49
Rot. Bonds6

About 4-(4-aminophenyl)sulfonylbutylurea

4-(4-aminophenyl)sulfonylbutylurea (PubChem CID 54051264) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylbutylurea.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylbutylurea
PubChem CID54051264
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-(4-aminophenyl)sulfonylbutylurea
SMILESNC(=O)NCCCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O3S/c12-9-3-5-10(6-4-9)18(16,17)8-2-1-7-14-11(13)15/h3-6H,1-2,7-8,12H2,(H3,13,14,15)
InChIKeyLTAJGPXOHCRTDH-UHFFFAOYSA-N
XLogP0.49
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)sulfonylbutylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylbutylurea?
The IUPAC name of 4-(4-aminophenyl)sulfonylbutylurea (CID 54051264) is 4-(4-aminophenyl)sulfonylbutylurea.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylbutylurea?
The canonical SMILES for 4-(4-aminophenyl)sulfonylbutylurea is NC(=O)NCCCCS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylbutylurea?
The InChIKey is LTAJGPXOHCRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-9-3-5-10(6-4-9)18(16,17)8-2-1-7-14-11(13)15/h3-6H,1-2,7-8,12H2,(H3,13,14,15).
What are the key properties of 4-(4-aminophenyl)sulfonylbutylurea?
4-(4-aminophenyl)sulfonylbutylurea has a molecular weight of 271.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylbutylurea is sourced from PubChem (CID 54051264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).