CID 134842308

C18H20NO3S — CID 134842308

IUPAC—
SMILESC[C](CS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H20NO3S/c1-14-9-11-17(12-10-14)23(21,22)13-15(2)18(20)19(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyQZSXHBHIUYDDNO-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.03
Rot. Bonds5

About CID 134842308

CID 134842308 (PubChem CID 134842308) has the molecular formula C18H20NO3S and a molecular weight of 330.43 g/mol.

Molecular Properties

Compound NameCID 134842308
PubChem CID134842308
Molecular FormulaC18H20NO3S
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name—
SMILESC[C](CS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H20NO3S/c1-14-9-11-17(12-10-14)23(21,22)13-15(2)18(20)19(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyQZSXHBHIUYDDNO-UHFFFAOYSA-N
XLogP3.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134842308?
The IUPAC name of CID 134842308 (CID 134842308) is not available.
What is the SMILES notation for CID 134842308?
The canonical SMILES for CID 134842308 is C[C](CS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of CID 134842308?
The InChIKey is QZSXHBHIUYDDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3S/c1-14-9-11-17(12-10-14)23(21,22)13-15(2)18(20)19(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of CID 134842308?
CID 134842308 has a molecular weight of 330.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134842308 is sourced from PubChem (CID 134842308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).