N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide

C14H14N4O3S — CID 5337691

IUPACN-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H14N4O3S/c1-11(19)17-13-4-6-14(7-5-13)22(20,21)18-16-10-12-3-2-8-15-9-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeyFKKKKIKMPVFUKH-MHWRWJLKSA-N
MW318.36 g/mol
LogP1.35
Rot. Bonds5

About N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 5337691) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID5337691
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H14N4O3S/c1-11(19)17-13-4-6-14(7-5-13)22(20,21)18-16-10-12-3-2-8-15-9-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeyFKKKKIKMPVFUKH-MHWRWJLKSA-N
XLogP1.35
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide (CID 5337691) is N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is FKKKKIKMPVFUKH-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-11(19)17-13-4-6-14(7-5-13)22(20,21)18-16-10-12-3-2-8-15-9-12/h2-10,18H,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 318.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-pyridin-3-ylmethylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5337691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).