N-but-3-ynylsulfamoyl chloride

C4H6ClNO2S — CID 172639073

IUPACN-but-3-ynylsulfamoyl chloride
SMILESC#CCCNS(=O)(=O)Cl
InChIInChI=1S/C4H6ClNO2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2
InChIKeyGMYKBMKDWQGYMK-UHFFFAOYSA-N
MW167.62 g/mol
LogP0.08
Rot. Bonds3

About N-but-3-ynylsulfamoyl chloride

N-but-3-ynylsulfamoyl chloride (PubChem CID 172639073) has the molecular formula C4H6ClNO2S and a molecular weight of 167.62 g/mol. Its IUPAC name is N-but-3-ynylsulfamoyl chloride.

Molecular Properties

Compound NameN-but-3-ynylsulfamoyl chloride
PubChem CID172639073
Molecular FormulaC4H6ClNO2S
Molecular Weight167.62 g/mol
Exact Mass166.98
IUPAC NameN-but-3-ynylsulfamoyl chloride
SMILESC#CCCNS(=O)(=O)Cl
InChIInChI=1S/C4H6ClNO2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2
InChIKeyGMYKBMKDWQGYMK-UHFFFAOYSA-N
XLogP0.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.62
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylsulfamoyl chloride?
The IUPAC name of N-but-3-ynylsulfamoyl chloride (CID 172639073) is N-but-3-ynylsulfamoyl chloride.
What is the SMILES notation for N-but-3-ynylsulfamoyl chloride?
The canonical SMILES for N-but-3-ynylsulfamoyl chloride is C#CCCNS(=O)(=O)Cl.
What is the InChIKey of N-but-3-ynylsulfamoyl chloride?
The InChIKey is GMYKBMKDWQGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2.
What are the key properties of N-but-3-ynylsulfamoyl chloride?
N-but-3-ynylsulfamoyl chloride has a molecular weight of 167.62 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylsulfamoyl chloride is sourced from PubChem (CID 172639073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).