CID 175934670

C7H8F2N2NaO5S — CID 175934670

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H8F2N2O5S.Na/c8-5(9)7-2-1-4-3-10(7)6(12)11(4)16-17(13,14)15-7;/h4-5H,1-3H2;/t4-,7+;/m1./s1
InChIKeySMRVUOQVYFXCQH-RERZVJIGSA-N
MW293.20 g/mol
LogP-0.33
Rot. Bonds1

About CID 175934670

CID 175934670 (PubChem CID 175934670) has the molecular formula C7H8F2N2NaO5S and a molecular weight of 293.20 g/mol.

Molecular Properties

Compound NameCID 175934670
PubChem CID175934670
Molecular FormulaC7H8F2N2NaO5S
Molecular Weight293.20 g/mol
Exact Mass293.00
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H8F2N2O5S.Na/c8-5(9)7-2-1-4-3-10(7)6(12)11(4)16-17(13,14)15-7;/h4-5H,1-3H2;/t4-,7+;/m1./s1
InChIKeySMRVUOQVYFXCQH-RERZVJIGSA-N
XLogP-0.33
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;[(2S,5R)-7-oxo-2-(trifluoromethyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 160201452
sodium;[(2S,5R)-2-(difluoromethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 161357724
Sodium [7-oxo-2-(trifluoromethyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 165149743
CID 175934656
CID 175934656
CID 175934659
CID 175934659
CID 175934662
CID 175934662
CID 175934672
CID 175934672
CID 175934677
CID 175934677
(7S,10R)-5,5-dioxo-7-(trifluoromethoxymethyl)-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934657
(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
(7S,10R)-7-(1,1-difluoro-2-methoxyethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934663
(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

Frequently Asked Questions

What is the IUPAC name of CID 175934670?
The IUPAC name of CID 175934670 (CID 175934670) is not available.
What is the SMILES notation for CID 175934670?
The canonical SMILES for CID 175934670 is O=C1N2OS(=O)(=O)O[C@]3(C(F)F)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934670?
The InChIKey is SMRVUOQVYFXCQH-RERZVJIGSA-N. The full InChI is InChI=1S/C7H8F2N2O5S.Na/c8-5(9)7-2-1-4-3-10(7)6(12)11(4)16-17(13,14)15-7;/h4-5H,1-3H2;/t4-,7+;/m1./s1.
What are the key properties of CID 175934670?
CID 175934670 has a molecular weight of 293.20 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934670 is sourced from PubChem (CID 175934670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).