CID 175934668

C7H9FN2NaO5S — CID 175934668

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(CF)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H9FN2O5S.Na/c8-4-7-2-1-5-3-9(7)6(11)10(5)15-16(12,13)14-7;/h5H,1-4H2;/t5-,7+;/m1./s1
InChIKeyIDPZBPCBERNSGE-PACXSXMQSA-N
MW275.21 g/mol
LogP-0.62
Rot. Bonds1

About CID 175934668

CID 175934668 (PubChem CID 175934668) has the molecular formula C7H9FN2NaO5S and a molecular weight of 275.21 g/mol.

Molecular Properties

Compound NameCID 175934668
PubChem CID175934668
Molecular FormulaC7H9FN2NaO5S
Molecular Weight275.21 g/mol
Exact Mass275.01
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(CF)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H9FN2O5S.Na/c8-4-7-2-1-5-3-9(7)6(11)10(5)15-16(12,13)14-7;/h5H,1-4H2;/t5-,7+;/m1./s1
InChIKeyIDPZBPCBERNSGE-PACXSXMQSA-N
XLogP-0.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium [(2S,5R)-2-(fluoromethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 158278533
CID 175934659
CID 175934659
CID 175934672
CID 175934672
(7S,10R)-5,5-dioxo-7-(trifluoromethyl)-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934660
(7R,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934667
(7S,10R)-7-(fluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934669
(7S,10R)-7-(difluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934671
(7S,10R)-7-(1,1-difluoroethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934673
(7S,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934683
CID 175934601
CID 175934601
CID 175934664
CID 175934664
CID 175934666
CID 175934666

Frequently Asked Questions

What is the IUPAC name of CID 175934668?
The IUPAC name of CID 175934668 (CID 175934668) is not available.
What is the SMILES notation for CID 175934668?
The canonical SMILES for CID 175934668 is O=C1N2OS(=O)(=O)O[C@]3(CF)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934668?
The InChIKey is IDPZBPCBERNSGE-PACXSXMQSA-N. The full InChI is InChI=1S/C7H9FN2O5S.Na/c8-4-7-2-1-5-3-9(7)6(11)10(5)15-16(12,13)14-7;/h5H,1-4H2;/t5-,7+;/m1./s1.
What are the key properties of CID 175934668?
CID 175934668 has a molecular weight of 275.21 g/mol, XLogP of -0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934668 is sourced from PubChem (CID 175934668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).