N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide

C11H16F2N2O2S — CID 114132499

IUPACN-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-2-3-14-4-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyNIIIUJHZPCXBHQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.71
Rot. Bonds7

About N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide

N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide (PubChem CID 114132499) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
PubChem CID114132499
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-2-3-14-4-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyNIIIUJHZPCXBHQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
CID 106056316
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanesulfonamide
CID 106066843
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
4-(propylamino)-N-(2,3,5-trifluorophenyl)butane-1-sulfonamide
CID 106056266
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide (CID 114132499) is N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is NIIIUJHZPCXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-2-3-14-4-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3.
What are the key properties of N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide?
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114132499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).