CID 19021053

C7H6ClNO2S — CID 19021053

IUPAC—
SMILESN=S=O.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.HNOS/c8-7(9)6-4-2-1-3-5-6;1-3-2/h1-5H;1H
InChIKeyCRSOIKZDERCVOX-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.03
Rot. Bonds1

About CID 19021053

CID 19021053 (PubChem CID 19021053) has the molecular formula C7H6ClNO2S and a molecular weight of 203.65 g/mol.

Molecular Properties

Compound NameCID 19021053
PubChem CID19021053
Molecular FormulaC7H6ClNO2S
Molecular Weight203.65 g/mol
Exact Mass202.98
IUPAC Name—
SMILESN=S=O.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.HNOS/c8-7(9)6-4-2-1-3-5-6;1-3-2/h1-5H;1H
InChIKeyCRSOIKZDERCVOX-UHFFFAOYSA-N
XLogP2.03
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19021053?
The IUPAC name of CID 19021053 (CID 19021053) is not available.
What is the SMILES notation for CID 19021053?
The canonical SMILES for CID 19021053 is N=S=O.O=C(Cl)c1ccccc1.
What is the InChIKey of CID 19021053?
The InChIKey is CRSOIKZDERCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO.HNOS/c8-7(9)6-4-2-1-3-5-6;1-3-2/h1-5H;1H.
What are the key properties of CID 19021053?
CID 19021053 has a molecular weight of 203.65 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19021053 is sourced from PubChem (CID 19021053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).