[(2,6-difluorophenyl)sulfonylamino]urea

C7H7F2N3O3S — CID 140574542

IUPAC[(2,6-difluorophenyl)sulfonylamino]urea
SMILESNC(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C7H7F2N3O3S/c8-4-2-1-3-5(9)6(4)16(14,15)12-11-7(10)13/h1-3,12H,(H3,10,11,13)
InChIKeyCEBJSXXZNIXAHT-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.17
Rot. Bonds3

About [(2,6-difluorophenyl)sulfonylamino]urea

[(2,6-difluorophenyl)sulfonylamino]urea (PubChem CID 140574542) has the molecular formula C7H7F2N3O3S and a molecular weight of 251.21 g/mol. Its IUPAC name is [(2,6-difluorophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name[(2,6-difluorophenyl)sulfonylamino]urea
PubChem CID140574542
Molecular FormulaC7H7F2N3O3S
Molecular Weight251.21 g/mol
Exact Mass251.02
IUPAC Name[(2,6-difluorophenyl)sulfonylamino]urea
SMILESNC(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C7H7F2N3O3S/c8-4-2-1-3-5(9)6(4)16(14,15)12-11-7(10)13/h1-3,12H,(H3,10,11,13)
InChIKeyCEBJSXXZNIXAHT-UHFFFAOYSA-N
XLogP-0.17
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
CID 8501038
1-[(2,6-difluorophenyl)sulfonylamino]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 11718604
N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
CID 29425150
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-2-phenylacetamide
CID 94579625
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2,6-difluorobenzenesulfonic acid
CID 14766952
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluorophenyl)sulfonylamino]urea?
The IUPAC name of [(2,6-difluorophenyl)sulfonylamino]urea (CID 140574542) is [(2,6-difluorophenyl)sulfonylamino]urea.
What is the SMILES notation for [(2,6-difluorophenyl)sulfonylamino]urea?
The canonical SMILES for [(2,6-difluorophenyl)sulfonylamino]urea is NC(=O)NNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of [(2,6-difluorophenyl)sulfonylamino]urea?
The InChIKey is CEBJSXXZNIXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3S/c8-4-2-1-3-5(9)6(4)16(14,15)12-11-7(10)13/h1-3,12H,(H3,10,11,13).
What are the key properties of [(2,6-difluorophenyl)sulfonylamino]urea?
[(2,6-difluorophenyl)sulfonylamino]urea has a molecular weight of 251.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluorophenyl)sulfonylamino]urea is sourced from PubChem (CID 140574542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).