4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate

C18H13FN3O3S- — CID 4693540

IUPAC4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate
SMILESO=S(=O)(Nc1ccc(/C([O-])=N/c2ccncc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3S/c19-14-2-1-3-17(12-14)26(24,25)22-16-6-4-13(5-7-16)18(23)21-15-8-10-20-11-9-15/h1-12,22H,(H,20,21,23)/p-1
InChIKeyPBUJLMUIUBGDBA-UHFFFAOYSA-M
MW370.39 g/mol
LogP2.46
Rot. Bonds5

About 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate

4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate (PubChem CID 4693540) has the molecular formula C18H13FN3O3S- and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate.

Molecular Properties

Compound Name4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate
PubChem CID4693540
Molecular FormulaC18H13FN3O3S-
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate
SMILESO=S(=O)(Nc1ccc(/C([O-])=N/c2ccncc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3S/c19-14-2-1-3-17(12-14)26(24,25)22-16-6-4-13(5-7-16)18(23)21-15-8-10-20-11-9-15/h1-12,22H,(H,20,21,23)/p-1
InChIKeyPBUJLMUIUBGDBA-UHFFFAOYSA-M
XLogP2.46
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
N-[4-(2-bromoethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296385
3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
CID 170977001
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 36900818
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate?
The IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate (CID 4693540) is 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate.
What is the SMILES notation for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate?
The canonical SMILES for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate is O=S(=O)(Nc1ccc(/C([O-])=N/c2ccncc2)cc1)c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate?
The InChIKey is PBUJLMUIUBGDBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14FN3O3S/c19-14-2-1-3-17(12-14)26(24,25)22-16-6-4-13(5-7-16)18(23)21-15-8-10-20-11-9-15/h1-12,22H,(H,20,21,23)/p-1.
What are the key properties of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate?
4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate has a molecular weight of 370.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate is sourced from PubChem (CID 4693540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).