4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide

C10H11F4N5O2S — CID 90371590

IUPAC4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C10H11F4N5O2S/c1-19(2)4-3-16-22(20,21)10-7(13)5(11)9(17-18-15)6(12)8(10)14/h16H,3-4H2,1-2H3
InChIKeyRLYDHNXBQFAFMI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.02
Rot. Bonds6

About 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide

4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide (PubChem CID 90371590) has the molecular formula C10H11F4N5O2S and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
PubChem CID90371590
Molecular FormulaC10H11F4N5O2S
Molecular Weight341.29 g/mol
Exact Mass341.06
IUPAC Name4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C10H11F4N5O2S/c1-19(2)4-3-16-22(20,21)10-7(13)5(11)9(17-18-15)6(12)8(10)14/h16H,3-4H2,1-2H3
InChIKeyRLYDHNXBQFAFMI-UHFFFAOYSA-N
XLogP2.02
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide (CID 90371590) is 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.
What is the InChIKey of 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is RLYDHNXBQFAFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N5O2S/c1-19(2)4-3-16-22(20,21)10-7(13)5(11)9(17-18-15)6(12)8(10)14/h16H,3-4H2,1-2H3.
What are the key properties of 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 341.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 90371590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).