4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide

C12H11F4N5O3S — CID 155381882

IUPAC4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
SMILESC=CS(=O)(=O)NCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C12H11F4N5O3S/c1-2-25(23,24)19-5-3-4-18-12(22)6-7(13)9(15)11(20-21-17)10(16)8(6)14/h2,19H,1,3-5H2,(H,18,22)
InChIKeyIPYSURDYHBCXHU-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.37
Rot. Bonds8

About 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide

4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 155381882) has the molecular formula C12H11F4N5O3S and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound Name4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
PubChem CID155381882
Molecular FormulaC12H11F4N5O3S
Molecular Weight381.31 g/mol
Exact Mass381.05
IUPAC Name4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
SMILESC=CS(=O)(=O)NCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C12H11F4N5O3S/c1-2-25(23,24)19-5-3-4-18-12(22)6-7(13)9(15)11(20-21-17)10(16)8(6)14/h2,19H,1,3-5H2,(H,18,22)
InChIKeyIPYSURDYHBCXHU-UHFFFAOYSA-N
XLogP2.37
TPSA124.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
CID 59172552
4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
CID 161278811
4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
3-(prop-2-enoylamino)propyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate
CID 155381857
N-[3-(ethenylsulfonylamino)propyl]-4-formylbenzamide
CID 146636175
4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 58925536
4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 159843457
4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
CID 132518930
2-[[2,3,5,6-tetrafluoro-4-(methylideneamino)benzoyl]amino]ethanesulfonic acid
CID 147838765
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
2-(2-methylprop-2-enoylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate
CID 155383085

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide (CID 155381882) is 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide is C=CS(=O)(=O)NCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.
What is the InChIKey of 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide?
The InChIKey is IPYSURDYHBCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N5O3S/c1-2-25(23,24)19-5-3-4-18-12(22)6-7(13)9(15)11(20-21-17)10(16)8(6)14/h2,19H,1,3-5H2,(H,18,22).
What are the key properties of 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide?
4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 381.31 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 155381882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).