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'}

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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).