CID 134841166

C17H18NO3S — CID 134841166

IUPAC—
SMILESC[C](CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H18NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3
InChIKeyOPTBNTZLNVKJGM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.72
Rot. Bonds5

About CID 134841166

CID 134841166 (PubChem CID 134841166) has the molecular formula C17H18NO3S and a molecular weight of 316.40 g/mol.

Molecular Properties

Compound NameCID 134841166
PubChem CID134841166
Molecular FormulaC17H18NO3S
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name—
SMILESC[C](CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H18NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3
InChIKeyOPTBNTZLNVKJGM-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134841166?
The IUPAC name of CID 134841166 (CID 134841166) is not available.
What is the SMILES notation for CID 134841166?
The canonical SMILES for CID 134841166 is C[C](CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of CID 134841166?
The InChIKey is OPTBNTZLNVKJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3.
What are the key properties of CID 134841166?
CID 134841166 has a molecular weight of 316.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134841166 is sourced from PubChem (CID 134841166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).