2-(4-amino-2,6-difluorophenyl)sulfonylguanidine

C7H8F2N4O2S — CID 116646238

IUPAC2-(4-amino-2,6-difluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C7H8F2N4O2S/c8-4-1-3(10)2-5(9)6(4)16(14,15)13-7(11)12/h1-2H,10H2,(H4,11,12,13)
InChIKeyRMJFJXYBKDIILR-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.49
Rot. Bonds2

About 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine

2-(4-amino-2,6-difluorophenyl)sulfonylguanidine (PubChem CID 116646238) has the molecular formula C7H8F2N4O2S and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfonylguanidine
PubChem CID116646238
Molecular FormulaC7H8F2N4O2S
Molecular Weight250.23 g/mol
Exact Mass250.03
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C7H8F2N4O2S/c8-4-1-3(10)2-5(9)6(4)16(14,15)13-7(11)12/h1-2H,10H2,(H4,11,12,13)
InChIKeyRMJFJXYBKDIILR-UHFFFAOYSA-N
XLogP-0.49
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,6-difluorophenyl)sulfonylacetamide
CID 61366888
2-(3-amino-2,4-difluorophenyl)sulfonylguanidine
CID 107343914
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
2-(3-amino-4-bromophenyl)sulfonylguanidine
CID 116646272
4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
3,5-difluoro-4-pentylsulfonylaniline
CID 61368233
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
2,4,6-trifluorobenzenesulfonamide
CID 2778291
3,5-difluoro-4-hexylsulfonylaniline
CID 61366705

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine (CID 116646238) is 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine?
The InChIKey is RMJFJXYBKDIILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2S/c8-4-1-3(10)2-5(9)6(4)16(14,15)13-7(11)12/h1-2H,10H2,(H4,11,12,13).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine?
2-(4-amino-2,6-difluorophenyl)sulfonylguanidine has a molecular weight of 250.23 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfonylguanidine is sourced from PubChem (CID 116646238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).