1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene

C11H19N3O3S — CID 114804521

IUPAC1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
SMILESCCCNS(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C11H19N3O3S/c1-2-7-13-18(16,17)14(8-9-15)11-6-4-3-5-10(11)12/h3-6,13,15H,2,7-9,12H2,1H3
InChIKeyCDJFYCJOEMPZEX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.31
Rot. Bonds7

About 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene

1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene (PubChem CID 114804521) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
PubChem CID114804521
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
SMILESCCCNS(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C11H19N3O3S/c1-2-7-13-18(16,17)14(8-9-15)11-6-4-3-5-10(11)12/h3-6,13,15H,2,7-9,12H2,1H3
InChIKeyCDJFYCJOEMPZEX-UHFFFAOYSA-N
XLogP0.31
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
CID 114804778
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
CID 114804803
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550537
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 43550546
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550531
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
CID 102690536
1-amino-2-[[propan-2-yl(propylsulfamoyl)amino]methyl]benzene
CID 114804404
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene?
The IUPAC name of 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene (CID 114804521) is 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene.
What is the SMILES notation for 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene?
The canonical SMILES for 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene is CCCNS(=O)(=O)N(CCO)c1ccccc1N.
What is the InChIKey of 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene?
The InChIKey is CDJFYCJOEMPZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-7-13-18(16,17)14(8-9-15)11-6-4-3-5-10(11)12/h3-6,13,15H,2,7-9,12H2,1H3.
What are the key properties of 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene?
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene has a molecular weight of 273.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene is sourced from PubChem (CID 114804521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).