1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene

C12H21N3O2S — CID 114804803

IUPAC1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
SMILESCCCN(c1ccccc1N)S(=O)(=O)NC(C)C
InChIInChI=1S/C12H21N3O2S/c1-4-9-15(18(16,17)14-10(2)3)12-8-6-5-7-11(12)13/h5-8,10,14H,4,9,13H2,1-3H3
InChIKeyDBFQHKVAQNXBMU-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.73
Rot. Bonds6

About 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene

1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene (PubChem CID 114804803) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene.

Molecular Properties

Compound Name1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
PubChem CID114804803
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
SMILESCCCN(c1ccccc1N)S(=O)(=O)NC(C)C
InChIInChI=1S/C12H21N3O2S/c1-4-9-15(18(16,17)14-10(2)3)12-8-6-5-7-11(12)13/h5-8,10,14H,4,9,13H2,1-3H3
InChIKeyDBFQHKVAQNXBMU-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene?
The IUPAC name of 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene (CID 114804803) is 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene.
What is the SMILES notation for 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene?
The canonical SMILES for 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene is CCCN(c1ccccc1N)S(=O)(=O)NC(C)C.
What is the InChIKey of 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene?
The InChIKey is DBFQHKVAQNXBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-9-15(18(16,17)14-10(2)3)12-8-6-5-7-11(12)13/h5-8,10,14H,4,9,13H2,1-3H3.
What are the key properties of 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene?
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene is sourced from PubChem (CID 114804803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).