CID 68896583

C7H9KNO2S — CID 68896583

IUPAC—
SMILESNS(=O)(=O)Cc1ccccc1.[K]
InChIInChI=1S/C7H9NO2S.K/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);
InChIKeyNSUQFBWTCLFMLF-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.09
Rot. Bonds2

About CID 68896583

CID 68896583 (PubChem CID 68896583) has the molecular formula C7H9KNO2S and a molecular weight of 210.32 g/mol.

Molecular Properties

Compound NameCID 68896583
PubChem CID68896583
Molecular FormulaC7H9KNO2S
Molecular Weight210.32 g/mol
Exact Mass210.00
IUPAC Name—
SMILESNS(=O)(=O)Cc1ccccc1.[K]
InChIInChI=1S/C7H9NO2S.K/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);
InChIKeyNSUQFBWTCLFMLF-UHFFFAOYSA-N
XLogP0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68588123
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CID 173374603
alumane;phenylmethanesulfonic acid
CID 174435213
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
potassium;(4-fluorophenyl)methanesulfonamide;hydride
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Frequently Asked Questions

What is the IUPAC name of CID 68896583?
The IUPAC name of CID 68896583 (CID 68896583) is not available.
What is the SMILES notation for CID 68896583?
The canonical SMILES for CID 68896583 is NS(=O)(=O)Cc1ccccc1.[K].
What is the InChIKey of CID 68896583?
The InChIKey is NSUQFBWTCLFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.K/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);.
What are the key properties of CID 68896583?
CID 68896583 has a molecular weight of 210.32 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68896583 is sourced from PubChem (CID 68896583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).