CID 175934659

C7H7F3N2NaO5S — CID 175934659

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H7F3N2O5S.Na/c8-7(9,10)6-2-1-4-3-11(6)5(13)12(4)17-18(14,15)16-6;/h4H,1-3H2;/t4-,6+;/m1./s1
InChIKeyHCPGEWAKPDGWHS-MYSBMPOLSA-N
MW311.19 g/mol
LogP-0.03
Rot. Bonds

About CID 175934659

CID 175934659 (PubChem CID 175934659) has the molecular formula C7H7F3N2NaO5S and a molecular weight of 311.19 g/mol.

Molecular Properties

Compound NameCID 175934659
PubChem CID175934659
Molecular FormulaC7H7F3N2NaO5S
Molecular Weight311.19 g/mol
Exact Mass310.99
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C7H7F3N2O5S.Na/c8-7(9,10)6-2-1-4-3-11(6)5(13)12(4)17-18(14,15)16-6;/h4H,1-3H2;/t4-,6+;/m1./s1
InChIKeyHCPGEWAKPDGWHS-MYSBMPOLSA-N
XLogP-0.03
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175934656
CID 175934656
CID 175934662
CID 175934662
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 175934666
CID 175934666
CID 175934668
CID 175934668
CID 175934670
CID 175934670

Frequently Asked Questions

What is the IUPAC name of CID 175934659?
The IUPAC name of CID 175934659 (CID 175934659) is not available.
What is the SMILES notation for CID 175934659?
The canonical SMILES for CID 175934659 is O=C1N2OS(=O)(=O)O[C@]3(C(F)(F)F)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934659?
The InChIKey is HCPGEWAKPDGWHS-MYSBMPOLSA-N. The full InChI is InChI=1S/C7H7F3N2O5S.Na/c8-7(9,10)6-2-1-4-3-11(6)5(13)12(4)17-18(14,15)16-6;/h4H,1-3H2;/t4-,6+;/m1./s1.
What are the key properties of CID 175934659?
CID 175934659 has a molecular weight of 311.19 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934659 is sourced from PubChem (CID 175934659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).