[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea

C9H10FN3O3S — CID 168534018

IUPAC[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea
SMILESCS(=O)(=O)c1ccc(C=NNC(N)=O)c(F)c1
InChIInChI=1S/C9H10FN3O3S/c1-17(15,16)7-3-2-6(8(10)4-7)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)
InChIKeySCDYYWGLRTZTEF-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.23
Rot. Bonds3

About [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea

[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea (PubChem CID 168534018) has the molecular formula C9H10FN3O3S and a molecular weight of 259.26 g/mol. Its IUPAC name is [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea
PubChem CID168534018
Molecular FormulaC9H10FN3O3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea
SMILESCS(=O)(=O)c1ccc(C=NNC(N)=O)c(F)c1
InChIInChI=1S/C9H10FN3O3S/c1-17(15,16)7-3-2-6(8(10)4-7)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)
InChIKeySCDYYWGLRTZTEF-UHFFFAOYSA-N
XLogP0.23
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]thiourea
CID 168536459
[[4-(bromomethyl)-2-fluorophenyl]methylideneamino]urea
CID 168533942
N-[(E)-(2-fluoro-4-methylsulfonylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 166222246
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
tert-butyl 4-[(carbamoylhydrazinylidene)methyl]-3-fluorobenzoate
CID 168533667
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
[4-[(carbamoylhydrazinylidene)methyl]-2,3-difluorophenyl]boronic acid
CID 168531850
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea?
The IUPAC name of [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea (CID 168534018) is [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea.
What is the SMILES notation for [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea?
The canonical SMILES for [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea is CS(=O)(=O)c1ccc(C=NNC(N)=O)c(F)c1.
What is the InChIKey of [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea?
The InChIKey is SCDYYWGLRTZTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3S/c1-17(15,16)7-3-2-6(8(10)4-7)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14).
What are the key properties of [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea?
[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea has a molecular weight of 259.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea is sourced from PubChem (CID 168534018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).