N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide

C14H22Cl2N2O2S — CID 61013535

IUPACN-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-18(21(3,19)20)9-5-8-17-11(2)13-10-12(15)6-7-14(13)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyLOQRREIDBBPMQQ-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.32
Rot. Bonds8

About N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide

N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide (PubChem CID 61013535) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
PubChem CID61013535
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC NameN-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-18(21(3,19)20)9-5-8-17-11(2)13-10-12(15)6-7-14(13)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyLOQRREIDBBPMQQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63983384
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
CID 61169291
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N'-methyl-N'-propan-2-yl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 106040177
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide (CID 61013535) is N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNC(C)c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is LOQRREIDBBPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-4-18(21(3,19)20)9-5-8-17-11(2)13-10-12(15)6-7-14(13)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 61013535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).