[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium

C20H17F2N4O2S+ — CID 163766864

IUPAC[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium
SMILESN/C=C(\C(=[NH2+])c1ccncc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C20H16F2N4O2S/c21-15-4-5-18(22)19(11-15)29(27,28)26-16-3-1-2-14(10-16)17(12-23)20(24)13-6-8-25-9-7-13/h1-12,24,26H,23H2/p+1/b17-12-,24-20?
InChIKeyMDAWMFVCRJAHDW-WPTKKBASSA-O
MW415.45 g/mol
LogP1.71
Rot. Bonds6

About [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium

[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium (PubChem CID 163766864) has the molecular formula C20H17F2N4O2S+ and a molecular weight of 415.45 g/mol. Its IUPAC name is [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium
PubChem CID163766864
Molecular FormulaC20H17F2N4O2S+
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium
SMILESN/C=C(\C(=[NH2+])c1ccncc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C20H16F2N4O2S/c21-15-4-5-18(22)19(11-15)29(27,28)26-16-3-1-2-14(10-16)17(12-23)20(24)13-6-8-25-9-7-13/h1-12,24,26H,23H2/p+1/b17-12-,24-20?
InChIKeyMDAWMFVCRJAHDW-WPTKKBASSA-O
XLogP1.71
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium?
The IUPAC name of [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium (CID 163766864) is [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium?
The canonical SMILES for [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium is N/C=C(\C(=[NH2+])c1ccncc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium?
The InChIKey is MDAWMFVCRJAHDW-WPTKKBASSA-O. The full InChI is InChI=1S/C20H16F2N4O2S/c21-15-4-5-18(22)19(11-15)29(27,28)26-16-3-1-2-14(10-16)17(12-23)20(24)13-6-8-25-9-7-13/h1-12,24,26H,23H2/p+1/b17-12-,24-20?.
What are the key properties of [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium?
[(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium has a molecular weight of 415.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-[3-[(2,5-difluorophenyl)sulfonylamino]phenyl]-1-pyridin-4-ylprop-2-enylidene]azanium is sourced from PubChem (CID 163766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).