CID 158175999

H4ClNO4S — CID 158175999

IUPAC—
SMILESNCl.O=S(=O)(O)O
InChIInChI=1S/ClH2N.H2O4S/c1-2;1-5(2,3)4/h2H2;(H2,1,2,3,4)
InChIKeyFXZUVYSBVVBIIU-UHFFFAOYSA-N
MW149.55 g/mol
LogP-0.55
Rot. Bonds

About CID 158175999

CID 158175999 (PubChem CID 158175999) has the molecular formula H4ClNO4S and a molecular weight of 149.55 g/mol.

Molecular Properties

Compound NameCID 158175999
PubChem CID158175999
Molecular FormulaH4ClNO4S
Molecular Weight149.55 g/mol
Exact Mass148.95
IUPAC Name—
SMILESNCl.O=S(=O)(O)O
InChIInChI=1S/ClH2N.H2O4S/c1-2;1-5(2,3)4/h2H2;(H2,1,2,3,4)
InChIKeyFXZUVYSBVVBIIU-UHFFFAOYSA-N
XLogP-0.55
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.55
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158175999?
The IUPAC name of CID 158175999 (CID 158175999) is not available.
What is the SMILES notation for CID 158175999?
The canonical SMILES for CID 158175999 is NCl.O=S(=O)(O)O.
What is the InChIKey of CID 158175999?
The InChIKey is FXZUVYSBVVBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2N.H2O4S/c1-2;1-5(2,3)4/h2H2;(H2,1,2,3,4).
What are the key properties of CID 158175999?
CID 158175999 has a molecular weight of 149.55 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158175999 is sourced from PubChem (CID 158175999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).