CID 70601747

C8H11NNaO2S — CID 70601747

IUPAC—
SMILESCS(=O)(=O)NCc1ccccc1.[Na]
InChIInChI=1S/C8H11NO2S.Na/c1-12(10,11)9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;
InChIKeyNVRITSQOSGYYSZ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.35
Rot. Bonds3

About CID 70601747

CID 70601747 (PubChem CID 70601747) has the molecular formula C8H11NNaO2S and a molecular weight of 208.24 g/mol.

Molecular Properties

Compound NameCID 70601747
PubChem CID70601747
Molecular FormulaC8H11NNaO2S
Molecular Weight208.24 g/mol
Exact Mass208.04
IUPAC Name—
SMILESCS(=O)(=O)NCc1ccccc1.[Na]
InChIInChI=1S/C8H11NO2S.Na/c1-12(10,11)9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;
InChIKeyNVRITSQOSGYYSZ-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70601747?
The IUPAC name of CID 70601747 (CID 70601747) is not available.
What is the SMILES notation for CID 70601747?
The canonical SMILES for CID 70601747 is CS(=O)(=O)NCc1ccccc1.[Na].
What is the InChIKey of CID 70601747?
The InChIKey is NVRITSQOSGYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.Na/c1-12(10,11)9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;.
What are the key properties of CID 70601747?
CID 70601747 has a molecular weight of 208.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70601747 is sourced from PubChem (CID 70601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).