N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide

C11H16F2N2O2S — CID 113328290

IUPACN-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C11H16F2N2O2S/c1-18(16,17)15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14-15H,6-8H2,1H3
InChIKeyWDHFMJAVWWILNB-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide

N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide (PubChem CID 113328290) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
PubChem CID113328290
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C11H16F2N2O2S/c1-18(16,17)15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14-15H,6-8H2,1H3
InChIKeyWDHFMJAVWWILNB-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.26
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-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
N-[2-[[4-(3,5-difluorophenoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 49463594
N-[2-[[4-(3-methylbutoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 29270866
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
N-[2-[(3-cyano-4-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 107880066
N-[2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]ethyl]methanesulfonamide
CID 79831323
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide (CID 113328290) is N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
The InChIKey is WDHFMJAVWWILNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-18(16,17)15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14-15H,6-8H2,1H3.
What are the key properties of N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide?
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 113328290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).