methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate

C8H8F2N2O4S — CID 8501038

IUPACmethyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C8H8F2N2O4S/c1-16-8(13)11-12-17(14,15)7-5(9)3-2-4-6(7)10/h2-4,12H,1H3,(H,11,13)
InChIKeyMJSUEPHRFLRKIO-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.51
Rot. Bonds3

About methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate

methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate (PubChem CID 8501038) has the molecular formula C8H8F2N2O4S and a molecular weight of 266.23 g/mol. Its IUPAC name is methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
PubChem CID8501038
Molecular FormulaC8H8F2N2O4S
Molecular Weight266.23 g/mol
Exact Mass266.02
IUPAC Namemethyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C8H8F2N2O4S/c1-16-8(13)11-12-17(14,15)7-5(9)3-2-4-6(7)10/h2-4,12H,1H3,(H,11,13)
InChIKeyMJSUEPHRFLRKIO-UHFFFAOYSA-N
XLogP0.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
1-[(2,6-difluorophenyl)sulfonylamino]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 11718604
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
CID 29425150
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
CID 3763232
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate?
The IUPAC name of methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate (CID 8501038) is methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate.
What is the SMILES notation for methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate?
The canonical SMILES for methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate is COC(=O)NNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate?
The InChIKey is MJSUEPHRFLRKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4S/c1-16-8(13)11-12-17(14,15)7-5(9)3-2-4-6(7)10/h2-4,12H,1H3,(H,11,13).
What are the key properties of methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate?
methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate has a molecular weight of 266.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate is sourced from PubChem (CID 8501038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).