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

C18H14FN3O3S — CID 984611

IUPAC4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
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)
InChIKeyPBUJLMUIUBGDBA-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.27
Rot. Bonds5

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

4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (PubChem CID 984611) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
PubChem CID984611
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
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)
InChIKeyPBUJLMUIUBGDBA-UHFFFAOYSA-N
XLogP3.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

WM-1119
CID 133080719
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
CID 134581398
Tubulin inhibitor 11
CID 139369407
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
Sulfonamide deriv., 7h
CID 44520904
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (CID 984611) is 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is PBUJLMUIUBGDBA-UHFFFAOYSA-N. 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).
What are the key properties of 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 984611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).