carbonochloridoyl(propan-2-yl)sulfamic acid

C4H8ClNO4S — CID 20542140

IUPACcarbonochloridoyl(propan-2-yl)sulfamic acid
SMILESCC(C)N(C(=O)Cl)S(=O)(=O)O
InChIInChI=1S/C4H8ClNO4S/c1-3(2)6(4(5)7)11(8,9)10/h3H,1-2H3,(H,8,9,10)
InChIKeyZQSBDDWGMYXWBW-UHFFFAOYSA-N
MW201.63 g/mol
LogP0.86
Rot. Bonds2

About carbonochloridoyl(propan-2-yl)sulfamic acid

carbonochloridoyl(propan-2-yl)sulfamic acid (PubChem CID 20542140) has the molecular formula C4H8ClNO4S and a molecular weight of 201.63 g/mol. Its IUPAC name is carbonochloridoyl(propan-2-yl)sulfamic acid.

Molecular Properties

Compound Namecarbonochloridoyl(propan-2-yl)sulfamic acid
PubChem CID20542140
Molecular FormulaC4H8ClNO4S
Molecular Weight201.63 g/mol
Exact Mass200.99
IUPAC Namecarbonochloridoyl(propan-2-yl)sulfamic acid
SMILESCC(C)N(C(=O)Cl)S(=O)(=O)O
InChIInChI=1S/C4H8ClNO4S/c1-3(2)6(4(5)7)11(8,9)10/h3H,1-2H3,(H,8,9,10)
InChIKeyZQSBDDWGMYXWBW-UHFFFAOYSA-N
XLogP0.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-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 carbonochloridoyl(propan-2-yl)sulfamic acid?
The IUPAC name of carbonochloridoyl(propan-2-yl)sulfamic acid (CID 20542140) is carbonochloridoyl(propan-2-yl)sulfamic acid.
What is the SMILES notation for carbonochloridoyl(propan-2-yl)sulfamic acid?
The canonical SMILES for carbonochloridoyl(propan-2-yl)sulfamic acid is CC(C)N(C(=O)Cl)S(=O)(=O)O.
What is the InChIKey of carbonochloridoyl(propan-2-yl)sulfamic acid?
The InChIKey is ZQSBDDWGMYXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO4S/c1-3(2)6(4(5)7)11(8,9)10/h3H,1-2H3,(H,8,9,10).
What are the key properties of carbonochloridoyl(propan-2-yl)sulfamic acid?
carbonochloridoyl(propan-2-yl)sulfamic acid has a molecular weight of 201.63 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl(propan-2-yl)sulfamic acid is sourced from PubChem (CID 20542140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).