N-butan-2-ylsulfamoyl chloride

C4H10ClNO2S — CID 21491273

IUPACN-butan-2-ylsulfamoyl chloride
SMILESCCC(C)NS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-3-4(2)6-9(5,7)8/h4,6H,3H2,1-2H3
InChIKeyUIHDZJYDEXIFPZ-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.86
Rot. Bonds3

About N-butan-2-ylsulfamoyl chloride

N-butan-2-ylsulfamoyl chloride (PubChem CID 21491273) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is N-butan-2-ylsulfamoyl chloride.

Molecular Properties

Compound NameN-butan-2-ylsulfamoyl chloride
PubChem CID21491273
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC NameN-butan-2-ylsulfamoyl chloride
SMILESCCC(C)NS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-3-4(2)6-9(5,7)8/h4,6H,3H2,1-2H3
InChIKeyUIHDZJYDEXIFPZ-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylsulfamoyl chloride?
The IUPAC name of N-butan-2-ylsulfamoyl chloride (CID 21491273) is N-butan-2-ylsulfamoyl chloride.
What is the SMILES notation for N-butan-2-ylsulfamoyl chloride?
The canonical SMILES for N-butan-2-ylsulfamoyl chloride is CCC(C)NS(=O)(=O)Cl.
What is the InChIKey of N-butan-2-ylsulfamoyl chloride?
The InChIKey is UIHDZJYDEXIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-3-4(2)6-9(5,7)8/h4,6H,3H2,1-2H3.
What are the key properties of N-butan-2-ylsulfamoyl chloride?
N-butan-2-ylsulfamoyl chloride has a molecular weight of 171.65 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylsulfamoyl chloride is sourced from PubChem (CID 21491273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).