2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate

C9H9BrF2N2O4S — CID 83203648

IUPAC2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H9BrF2N2O4S/c10-6-3-5(11)4-7(12)8(6)19(16,17)14-1-2-18-9(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyDGNBCGHYEZPFBJ-UHFFFAOYSA-N
MW359.15 g/mol
LogP1.10
Rot. Bonds5

About 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83203648) has the molecular formula C9H9BrF2N2O4S and a molecular weight of 359.15 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
PubChem CID83203648
Molecular FormulaC9H9BrF2N2O4S
Molecular Weight359.15 g/mol
Exact Mass357.94
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H9BrF2N2O4S/c10-6-3-5(11)4-7(12)8(6)19(16,17)14-1-2-18-9(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyDGNBCGHYEZPFBJ-UHFFFAOYSA-N
XLogP1.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 51.10
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

3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83040032
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate (CID 83203648) is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is DGNBCGHYEZPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O4S/c10-6-3-5(11)4-7(12)8(6)19(16,17)14-1-2-18-9(13)15/h3-4,14H,1-2H2,(H2,13,15).
What are the key properties of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate?
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate has a molecular weight of 359.15 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).