CID 70129148

C18H25NNaO2S — CID 70129148

IUPAC—
SMILESCC(C)Cc1cc2ccccc2c(S(N)(=O)=O)c1CC(C)C.[Na]
InChIInChI=1S/C18H25NO2S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H2,19,20,21);
InChIKeyPXWYMSQRSRLGQV-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.50
Rot. Bonds5

About CID 70129148

CID 70129148 (PubChem CID 70129148) has the molecular formula C18H25NNaO2S and a molecular weight of 342.46 g/mol.

Molecular Properties

Compound NameCID 70129148
PubChem CID70129148
Molecular FormulaC18H25NNaO2S
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Name—
SMILESCC(C)Cc1cc2ccccc2c(S(N)(=O)=O)c1CC(C)C.[Na]
InChIInChI=1S/C18H25NO2S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H2,19,20,21);
InChIKeyPXWYMSQRSRLGQV-UHFFFAOYSA-N
XLogP3.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70129148?
The IUPAC name of CID 70129148 (CID 70129148) is not available.
What is the SMILES notation for CID 70129148?
The canonical SMILES for CID 70129148 is CC(C)Cc1cc2ccccc2c(S(N)(=O)=O)c1CC(C)C.[Na].
What is the InChIKey of CID 70129148?
The InChIKey is PXWYMSQRSRLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H2,19,20,21);.
What are the key properties of CID 70129148?
CID 70129148 has a molecular weight of 342.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70129148 is sourced from PubChem (CID 70129148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).