2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

C11H15BrF2N2O3S — CID 83040032

IUPAC2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H15BrF2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeySADNDGNACBBLGK-UHFFFAOYSA-N
MW373.22 g/mol
LogP1.24
Rot. Bonds8

About 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (PubChem CID 83040032) has the molecular formula C11H15BrF2N2O3S and a molecular weight of 373.22 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
PubChem CID83040032
Molecular FormulaC11H15BrF2N2O3S
Molecular Weight373.22 g/mol
Exact Mass372.00
IUPAC Name2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H15BrF2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeySADNDGNACBBLGK-UHFFFAOYSA-N
XLogP1.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
CID 120717697
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide (CID 83040032) is 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is COCCNCCNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is SADNDGNACBBLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 373.22 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 83040032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).