CID 173138779

H3ClN2O4S2 — CID 173138779

IUPAC—
SMILESNNS(=O)(=O)S(=O)(=O)Cl
InChIInChI=1S/ClH3N2O4S2/c1-8(4,5)9(6,7)3-2/h3H,2H2
InChIKeyAEXVAPHGHNGKJQ-UHFFFAOYSA-N
MW194.62 g/mol
LogP-1.74
Rot. Bonds2

About CID 173138779

CID 173138779 (PubChem CID 173138779) has the molecular formula H3ClN2O4S2 and a molecular weight of 194.62 g/mol.

Molecular Properties

Compound NameCID 173138779
PubChem CID173138779
Molecular FormulaH3ClN2O4S2
Molecular Weight194.62 g/mol
Exact Mass193.92
IUPAC Name—
SMILESNNS(=O)(=O)S(=O)(=O)Cl
InChIInChI=1S/ClH3N2O4S2/c1-8(4,5)9(6,7)3-2/h3H,2H2
InChIKeyAEXVAPHGHNGKJQ-UHFFFAOYSA-N
XLogP-1.74
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 21223241
CID 21223241
N-aminosulfamoyl chloride
CID 23285744
CID 149433448
CID 149433448
N-(chlorosulfonylamino)sulfamoyl chloride
CID 151023962
N-amino-N-chlorosulfonylsulfamoyl chloride
CID 173616449
CID 175427190
CID 175427190
N-amino-N-sulfonatosulfamate
CID 20132623

Frequently Asked Questions

What is the IUPAC name of CID 173138779?
The IUPAC name of CID 173138779 (CID 173138779) is not available.
What is the SMILES notation for CID 173138779?
The canonical SMILES for CID 173138779 is NNS(=O)(=O)S(=O)(=O)Cl.
What is the InChIKey of CID 173138779?
The InChIKey is AEXVAPHGHNGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH3N2O4S2/c1-8(4,5)9(6,7)3-2/h3H,2H2.
What are the key properties of CID 173138779?
CID 173138779 has a molecular weight of 194.62 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173138779 is sourced from PubChem (CID 173138779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).