CID 90073553

C12H11NO2S — CID 90073553

IUPAC—
SMILESN=S(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1H
InChIKeyAAWGRKPCZXGNHN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.98
Rot. Bonds1

About CID 90073553

CID 90073553 (PubChem CID 90073553) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol.

Molecular Properties

Compound NameCID 90073553
PubChem CID90073553
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name—
SMILESN=S(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1H
InChIKeyAAWGRKPCZXGNHN-UHFFFAOYSA-N
XLogP2.98
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90073553?
The IUPAC name of CID 90073553 (CID 90073553) is not available.
What is the SMILES notation for CID 90073553?
The canonical SMILES for CID 90073553 is N=S(=O)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 90073553?
The InChIKey is AAWGRKPCZXGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1H.
What are the key properties of CID 90073553?
CID 90073553 has a molecular weight of 233.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90073553 is sourced from PubChem (CID 90073553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).