1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene

C10H15N3O2S — CID 114804293

IUPAC1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
SMILESCN(c1ccc(N)cc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(10-6-2-8(11)3-7-10)16(14,15)12-9-4-5-9/h2-3,6-7,9,12H,4-5,11H2,1H3
InChIKeyQGTFNLKXGHASHL-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.70
Rot. Bonds4

About 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene

1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene (PubChem CID 114804293) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene.

Molecular Properties

Compound Name1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
PubChem CID114804293
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
SMILESCN(c1ccc(N)cc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(10-6-2-8(11)3-7-10)16(14,15)12-9-4-5-9/h2-3,6-7,9,12H,4-5,11H2,1H3
InChIKeyQGTFNLKXGHASHL-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene?
The IUPAC name of 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene (CID 114804293) is 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene.
What is the SMILES notation for 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene?
The canonical SMILES for 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene is CN(c1ccc(N)cc1)S(=O)(=O)NC1CC1.
What is the InChIKey of 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene?
The InChIKey is QGTFNLKXGHASHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(10-6-2-8(11)3-7-10)16(14,15)12-9-4-5-9/h2-3,6-7,9,12H,4-5,11H2,1H3.
What are the key properties of 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene?
1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene has a molecular weight of 241.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene is sourced from PubChem (CID 114804293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).