1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine

C14H15FN6O2S — CID 168603569

IUPAC1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN6O2S/c15-9-4-6-12(7-5-9)24(22,23)21-11-3-1-2-10(8-11)19-14(18)20-13(16)17/h1-8,21H,(H6,16,17,18,19,20)
InChIKeyNAMWISCIWGAUPA-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.85
Rot. Bonds4

About 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine

1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine (PubChem CID 168603569) has the molecular formula C14H15FN6O2S and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine
PubChem CID168603569
Molecular FormulaC14H15FN6O2S
Molecular Weight350.38 g/mol
Exact Mass350.10
IUPAC Name1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN6O2S/c15-9-4-6-12(7-5-9)24(22,23)21-11-3-1-2-10(8-11)19-14(18)20-13(16)17/h1-8,21H,(H6,16,17,18,19,20)
InChIKeyNAMWISCIWGAUPA-UHFFFAOYSA-N
XLogP0.85
TPSA148.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168602860
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
CID 1490745
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine
CID 168603239
3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
CID 170977001
3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-(3,4,5-trifluorophenyl)propanoic acid
CID 19076748
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
3-[(3,4-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43167034

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine (CID 168603569) is 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine is NC(N)=N/C(N)=N/c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine?
The InChIKey is NAMWISCIWGAUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O2S/c15-9-4-6-12(7-5-9)24(22,23)21-11-3-1-2-10(8-11)19-14(18)20-13(16)17/h1-8,21H,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine?
1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine has a molecular weight of 350.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine is sourced from PubChem (CID 168603569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).