N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide

C10H13BrF2N2O2S — CID 54972469

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H13BrF2N2O2S/c1-2-14-3-4-18(16,17)15-10-8(11)5-7(12)6-9(10)13/h5-6,14-15H,2-4H2,1H3
InChIKeyAFXPDEVXUGTZLI-UHFFFAOYSA-N
MW343.19 g/mol
LogP2.08
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide

N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54972469) has the molecular formula C10H13BrF2N2O2S and a molecular weight of 343.19 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54972469
Molecular FormulaC10H13BrF2N2O2S
Molecular Weight343.19 g/mol
Exact Mass341.98
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H13BrF2N2O2S/c1-2-14-3-4-18(16,17)15-10-8(11)5-7(12)6-9(10)13/h5-6,14-15H,2-4H2,1H3
InChIKeyAFXPDEVXUGTZLI-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide (CID 54972469) is N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is AFXPDEVXUGTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O2S/c1-2-14-3-4-18(16,17)15-10-8(11)5-7(12)6-9(10)13/h5-6,14-15H,2-4H2,1H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 343.19 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54972469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).