N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide

C10H13Cl2NO3S — CID 75445405

IUPACN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-17(14,15)13-4-5-16-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyGWOALLUZCTUVPN-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide

N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide (PubChem CID 75445405) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
PubChem CID75445405
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC NameN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-17(14,15)13-4-5-16-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyGWOALLUZCTUVPN-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.06
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

2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2,4-dichloro-1-(propoxymethyl)benzene
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2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
CID 122140732
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 106862330
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[3-(methanesulfonamido)propyl]guanidine
CID 111720229
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
CID 106864761

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide (CID 75445405) is N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide is CS(=O)(=O)NCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide?
The InChIKey is GWOALLUZCTUVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-17(14,15)13-4-5-16-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide?
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 75445405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).