N-(2-aminophenyl)-N-propylcyclopropanesulfonamide

C12H18N2O2S — CID 64554493

IUPACN-(2-aminophenyl)-N-propylcyclopropanesulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-2-9-14(17(15,16)10-7-8-10)12-6-4-3-5-11(12)13/h3-6,10H,2,7-9,13H2,1H3
InChIKeyBGRNWUWWXHEAOR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.98
Rot. Bonds5

About N-(2-aminophenyl)-N-propylcyclopropanesulfonamide

N-(2-aminophenyl)-N-propylcyclopropanesulfonamide (PubChem CID 64554493) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-propylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-propylcyclopropanesulfonamide
PubChem CID64554493
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-aminophenyl)-N-propylcyclopropanesulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-2-9-14(17(15,16)10-7-8-10)12-6-4-3-5-11(12)13/h3-6,10H,2,7-9,13H2,1H3
InChIKeyBGRNWUWWXHEAOR-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-N-propylcyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 63230577
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
CID 114804803
N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide
CID 63230710
N-(2-aminophenyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55171150
2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
CID 63937656
N-(2-aminophenyl)-2,5-dichloro-N-propylthiophene-3-sulfonamide
CID 63230277
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 63230617
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-propylcyclopropanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-propylcyclopropanesulfonamide (CID 64554493) is N-(2-aminophenyl)-N-propylcyclopropanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-propylcyclopropanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-propylcyclopropanesulfonamide is CCCN(c1ccccc1N)S(=O)(=O)C1CC1.
What is the InChIKey of N-(2-aminophenyl)-N-propylcyclopropanesulfonamide?
The InChIKey is BGRNWUWWXHEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-9-14(17(15,16)10-7-8-10)12-6-4-3-5-11(12)13/h3-6,10H,2,7-9,13H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-propylcyclopropanesulfonamide?
N-(2-aminophenyl)-N-propylcyclopropanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-propylcyclopropanesulfonamide is sourced from PubChem (CID 64554493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).