2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine

C10H14FN5O2S — CID 168591730

IUPAC2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine
SMILESCN(C)S(=O)(=O)c1cc(C=NN=C(N)N)ccc1F
InChIInChI=1S/C10H14FN5O2S/c1-16(2)19(17,18)9-5-7(3-4-8(9)11)6-14-15-10(12)13/h3-6H,1-2H3,(H4,12,13,15)
InChIKeyRKSGKJDFHSQDGZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.32
Rot. Bonds4

About 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine

2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine (PubChem CID 168591730) has the molecular formula C10H14FN5O2S and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine
PubChem CID168591730
Molecular FormulaC10H14FN5O2S
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine
SMILESCN(C)S(=O)(=O)c1cc(C=NN=C(N)N)ccc1F
InChIInChI=1S/C10H14FN5O2S/c1-16(2)19(17,18)9-5-7(3-4-8(9)11)6-14-15-10(12)13/h3-6H,1-2H3,(H4,12,13,15)
InChIKeyRKSGKJDFHSQDGZ-UHFFFAOYSA-N
XLogP-0.32
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]urea
CID 168533556
2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide
CID 11831261
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxybenzenesulfonic acid;hydrochloride
CID 54601430
(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
CID 71615683
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
2-[[4-(bromomethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168591296
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
CID 168591146

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine (CID 168591730) is 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine is CN(C)S(=O)(=O)c1cc(C=NN=C(N)N)ccc1F.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine?
The InChIKey is RKSGKJDFHSQDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O2S/c1-16(2)19(17,18)9-5-7(3-4-8(9)11)6-14-15-10(12)13/h3-6H,1-2H3,(H4,12,13,15).
What are the key properties of 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine?
2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine has a molecular weight of 287.32 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).