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

C10H14F2N2O2S — CID 28731622

IUPACN-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyOXGRZSPVPNFEDG-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.60
Rot. Bonds6

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

N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 28731622) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
PubChem CID28731622
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyOXGRZSPVPNFEDG-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-cyano-4-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 107880066
N-[(3,4-difluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54906046
N-[2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]ethyl]methanesulfonamide
CID 79831323
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
CID 103643821
N-[2-[[4-(3,5-difluorophenoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 49463594
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 43771862
N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43144936
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[2-[(5-cyano-2-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43546043

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide (CID 28731622) is N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is OXGRZSPVPNFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-17(15,16)14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13-14H,4-5,7H2,1H3.
What are the key properties of N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 28731622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).