CID 172726801

H2ClNO4S — CID 172726801

IUPAC—
SMILESO=S(=O)(Cl)ONO
InChIInChI=1S/ClH2NO4S/c1-7(4,5)6-2-3/h2-3H
InChIKeyHGHJAQFTACRVGW-UHFFFAOYSA-N
MW147.54 g/mol
LogP-0.62
Rot. Bonds2

About CID 172726801

CID 172726801 (PubChem CID 172726801) has the molecular formula H2ClNO4S and a molecular weight of 147.54 g/mol.

Molecular Properties

Compound NameCID 172726801
PubChem CID172726801
Molecular FormulaH2ClNO4S
Molecular Weight147.54 g/mol
Exact Mass146.94
IUPAC Name—
SMILESO=S(=O)(Cl)ONO
InChIInChI=1S/ClH2NO4S/c1-7(4,5)6-2-3/h2-3H
InChIKeyHGHJAQFTACRVGW-UHFFFAOYSA-N
XLogP-0.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.54
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172726801?
The IUPAC name of CID 172726801 (CID 172726801) is not available.
What is the SMILES notation for CID 172726801?
The canonical SMILES for CID 172726801 is O=S(=O)(Cl)ONO.
What is the InChIKey of CID 172726801?
The InChIKey is HGHJAQFTACRVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2NO4S/c1-7(4,5)6-2-3/h2-3H.
What are the key properties of CID 172726801?
CID 172726801 has a molecular weight of 147.54 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172726801 is sourced from PubChem (CID 172726801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).