N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide

C11H16F2N2O3S — CID 54938960

IUPACN-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O3S/c1-19(17,18)15-5-4-14-7-11(16)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-16H,4-5,7H2,1H3
InChIKeyQEMXMZFSEQWHCR-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.14
Rot. Bonds7

About N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide

N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide (PubChem CID 54938960) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
PubChem CID54938960
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC NameN-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O3S/c1-19(17,18)15-5-4-14-7-11(16)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-16H,4-5,7H2,1H3
InChIKeyQEMXMZFSEQWHCR-UHFFFAOYSA-N
XLogP0.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
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-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
CID 115582033
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide (CID 54938960) is N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The InChIKey is QEMXMZFSEQWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-19(17,18)15-5-4-14-7-11(16)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-16H,4-5,7H2,1H3.
What are the key properties of N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 54938960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).