CID 174375840

C14H11N3O2S — CID 174375840

IUPAC—
SMILESN#CC#N.N=S(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2N2.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-4(2)3/h1-10H;;1H
InChIKeyKWXZBLOIUUOYMY-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.02
Rot. Bonds1

About CID 174375840

CID 174375840 (PubChem CID 174375840) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol.

Molecular Properties

Compound NameCID 174375840
PubChem CID174375840
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name—
SMILESN#CC#N.N=S(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2N2.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-4(2)3/h1-10H;;1H
InChIKeyKWXZBLOIUUOYMY-UHFFFAOYSA-N
XLogP3.02
TPSA105.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 174375840?
The IUPAC name of CID 174375840 (CID 174375840) is not available.
What is the SMILES notation for CID 174375840?
The canonical SMILES for CID 174375840 is N#CC#N.N=S(=O)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 174375840?
The InChIKey is KWXZBLOIUUOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2N2.HNO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-4(2)3/h1-10H;;1H.
What are the key properties of CID 174375840?
CID 174375840 has a molecular weight of 285.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174375840 is sourced from PubChem (CID 174375840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).