N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide

C12H18F2N2O2S — CID 106065163

IUPACN-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-2-5-15-6-7-19(17,18)16-9-10-8-11(13)3-4-12(10)14/h3-4,8,15-16H,2,5-7,9H2,1H3
InChIKeyDPOBCNPMHDSLOO-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.38
Rot. Bonds8

About N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide

N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide (PubChem CID 106065163) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
PubChem CID106065163
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-2-5-15-6-7-19(17,18)16-9-10-8-11(13)3-4-12(10)14/h3-4,8,15-16H,2,5-7,9H2,1H3
InChIKeyDPOBCNPMHDSLOO-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide 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-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 63790846
N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-ethyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanesulfonamide
CID 103793026
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide (CID 106065163) is N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is DPOBCNPMHDSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-2-5-15-6-7-19(17,18)16-9-10-8-11(13)3-4-12(10)14/h3-4,8,15-16H,2,5-7,9H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide?
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106065163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).