N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide

C12H18FNO4S — CID 110409686

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C12H18FNO4S/c1-17-6-7-18-8-9-19(15,16)14-10-11-4-2-3-5-12(11)13/h2-5,14H,6-10H2,1H3
InChIKeyHTUPXJSSAQMRME-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.91
Rot. Bonds9

About N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide

N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110409686) has the molecular formula C12H18FNO4S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110409686
Molecular FormulaC12H18FNO4S
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C12H18FNO4S/c1-17-6-7-18-8-9-19(15,16)14-10-11-4-2-3-5-12(11)13/h2-5,14H,6-10H2,1H3
InChIKeyHTUPXJSSAQMRME-UHFFFAOYSA-N
XLogP0.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide
CID 110606513
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63359491
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
N-[(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methoxyethanesulfonamide
CID 95628680
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179815

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide (CID 110409686) is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is HTUPXJSSAQMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S/c1-17-6-7-18-8-9-19(15,16)14-10-11-4-2-3-5-12(11)13/h2-5,14H,6-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide?
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110409686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).