N-propylsulfamoyl chloride

C3H8ClNO2S — CID 13398949

IUPACN-propylsulfamoyl chloride
SMILESCCCNS(=O)(=O)Cl
InChIInChI=1S/C3H8ClNO2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3
InChIKeyGVTQDHSVABMRGE-UHFFFAOYSA-N
MW157.62 g/mol
LogP0.47
Rot. Bonds3

About N-propylsulfamoyl chloride

N-propylsulfamoyl chloride (PubChem CID 13398949) has the molecular formula C3H8ClNO2S and a molecular weight of 157.62 g/mol. Its IUPAC name is N-propylsulfamoyl chloride.

Molecular Properties

Compound NameN-propylsulfamoyl chloride
PubChem CID13398949
Molecular FormulaC3H8ClNO2S
Molecular Weight157.62 g/mol
Exact Mass157.00
IUPAC NameN-propylsulfamoyl chloride
SMILESCCCNS(=O)(=O)Cl
InChIInChI=1S/C3H8ClNO2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3
InChIKeyGVTQDHSVABMRGE-UHFFFAOYSA-N
XLogP0.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propylsulfamoyl chloride?
The IUPAC name of N-propylsulfamoyl chloride (CID 13398949) is N-propylsulfamoyl chloride.
What is the SMILES notation for N-propylsulfamoyl chloride?
The canonical SMILES for N-propylsulfamoyl chloride is CCCNS(=O)(=O)Cl.
What is the InChIKey of N-propylsulfamoyl chloride?
The InChIKey is GVTQDHSVABMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3.
What are the key properties of N-propylsulfamoyl chloride?
N-propylsulfamoyl chloride has a molecular weight of 157.62 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfamoyl chloride is sourced from PubChem (CID 13398949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).