CID 134852396

C15H13ClNO3S — CID 134852396

IUPAC—
SMILESO=S1(=O)[N]OC(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H13ClNO3S/c16-13-8-6-11(7-9-13)14-10-15(21(18,19)17-20-14)12-4-2-1-3-5-12/h1-9,14-15H,10H2
InChIKeyYBSAZEUEHSBHGU-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.39
Rot. Bonds2

About CID 134852396

CID 134852396 (PubChem CID 134852396) has the molecular formula C15H13ClNO3S and a molecular weight of 322.79 g/mol.

Molecular Properties

Compound NameCID 134852396
PubChem CID134852396
Molecular FormulaC15H13ClNO3S
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name—
SMILESO=S1(=O)[N]OC(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H13ClNO3S/c16-13-8-6-11(7-9-13)14-10-15(21(18,19)17-20-14)12-4-2-1-3-5-12/h1-9,14-15H,10H2
InChIKeyYBSAZEUEHSBHGU-UHFFFAOYSA-N
XLogP3.39
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134852396?
The IUPAC name of CID 134852396 (CID 134852396) is not available.
What is the SMILES notation for CID 134852396?
The canonical SMILES for CID 134852396 is O=S1(=O)[N]OC(c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of CID 134852396?
The InChIKey is YBSAZEUEHSBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClNO3S/c16-13-8-6-11(7-9-13)14-10-15(21(18,19)17-20-14)12-4-2-1-3-5-12/h1-9,14-15H,10H2.
What are the key properties of CID 134852396?
CID 134852396 has a molecular weight of 322.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134852396 is sourced from PubChem (CID 134852396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).