N-tert-butylsulfamoyl chloride

C4H10ClNO2S — CID 12682606

IUPACN-tert-butylsulfamoyl chloride
SMILESCC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-4(2,3)6-9(5,7)8/h6H,1-3H3
InChIKeyWGBSTIRRHNSMRN-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.86
Rot. Bonds1

About N-tert-butylsulfamoyl chloride

N-tert-butylsulfamoyl chloride (PubChem CID 12682606) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is N-tert-butylsulfamoyl chloride.

Molecular Properties

Compound NameN-tert-butylsulfamoyl chloride
PubChem CID12682606
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC NameN-tert-butylsulfamoyl chloride
SMILESCC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO2S/c1-4(2,3)6-9(5,7)8/h6H,1-3H3
InChIKeyWGBSTIRRHNSMRN-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-tert-butylsulfamoyl chloride?
The IUPAC name of N-tert-butylsulfamoyl chloride (CID 12682606) is N-tert-butylsulfamoyl chloride.
What is the SMILES notation for N-tert-butylsulfamoyl chloride?
The canonical SMILES for N-tert-butylsulfamoyl chloride is CC(C)(C)NS(=O)(=O)Cl.
What is the InChIKey of N-tert-butylsulfamoyl chloride?
The InChIKey is WGBSTIRRHNSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-4(2,3)6-9(5,7)8/h6H,1-3H3.
What are the key properties of N-tert-butylsulfamoyl chloride?
N-tert-butylsulfamoyl chloride has a molecular weight of 171.65 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfamoyl chloride is sourced from PubChem (CID 12682606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).