N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline

C17H19NO2S — CID 164684963

IUPACN-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline
SMILESO=S(=O)(c1ccccc1)C1(CCNc2ccccc2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17(11-12-17)13-14-18-15-7-3-1-4-8-15/h1-10,18H,11-14H2
InChIKeyZNGIYCDOOIIHKA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline

N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline (PubChem CID 164684963) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline
PubChem CID164684963
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline
SMILESO=S(=O)(c1ccccc1)C1(CCNc2ccccc2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17(11-12-17)13-14-18-15-7-3-1-4-8-15/h1-10,18H,11-14H2
InChIKeyZNGIYCDOOIIHKA-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline?
The IUPAC name of N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline (CID 164684963) is N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline is O=S(=O)(c1ccccc1)C1(CCNc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline?
The InChIKey is ZNGIYCDOOIIHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17(11-12-17)13-14-18-15-7-3-1-4-8-15/h1-10,18H,11-14H2.
What are the key properties of N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline?
N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline has a molecular weight of 301.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)cyclopropyl]ethyl]aniline is sourced from PubChem (CID 164684963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).