CID 59705712

C11H12NO3S — CID 59705712

IUPAC—
SMILESNC(=O)[CH]CSC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H12NO3S/c12-9(13)6-7-16-10(11(14)15)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,12,13)(H,14,15)
InChIKeyIRWDQUISGBWQJI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.24
Rot. Bonds6

About CID 59705712

CID 59705712 (PubChem CID 59705712) has the molecular formula C11H12NO3S and a molecular weight of 238.29 g/mol.

Molecular Properties

Compound NameCID 59705712
PubChem CID59705712
Molecular FormulaC11H12NO3S
Molecular Weight238.29 g/mol
Exact Mass238.05
IUPAC Name—
SMILESNC(=O)[CH]CSC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H12NO3S/c12-9(13)6-7-16-10(11(14)15)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,12,13)(H,14,15)
InChIKeyIRWDQUISGBWQJI-UHFFFAOYSA-N
XLogP1.24
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59705712?
The IUPAC name of CID 59705712 (CID 59705712) is not available.
What is the SMILES notation for CID 59705712?
The canonical SMILES for CID 59705712 is NC(=O)[CH]CSC(C(=O)O)c1ccccc1.
What is the InChIKey of CID 59705712?
The InChIKey is IRWDQUISGBWQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO3S/c12-9(13)6-7-16-10(11(14)15)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,12,13)(H,14,15).
What are the key properties of CID 59705712?
CID 59705712 has a molecular weight of 238.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59705712 is sourced from PubChem (CID 59705712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).