N-ethyl-N-propan-2-ylsulfamoyl chloride

C5H12ClNO2S — CID 43265685

IUPACN-ethyl-N-propan-2-ylsulfamoyl chloride
SMILESCCN(C(C)C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-7(5(2)3)10(6,8)9/h5H,4H2,1-3H3
InChIKeyXEKUITRZNQRMCB-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.20
Rot. Bonds3

About N-ethyl-N-propan-2-ylsulfamoyl chloride

N-ethyl-N-propan-2-ylsulfamoyl chloride (PubChem CID 43265685) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylsulfamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylsulfamoyl chloride
PubChem CID43265685
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-ethyl-N-propan-2-ylsulfamoyl chloride
SMILESCCN(C(C)C)S(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-7(5(2)3)10(6,8)9/h5H,4H2,1-3H3
InChIKeyXEKUITRZNQRMCB-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylsulfamoyl chloride?
The IUPAC name of N-ethyl-N-propan-2-ylsulfamoyl chloride (CID 43265685) is N-ethyl-N-propan-2-ylsulfamoyl chloride.
What is the SMILES notation for N-ethyl-N-propan-2-ylsulfamoyl chloride?
The canonical SMILES for N-ethyl-N-propan-2-ylsulfamoyl chloride is CCN(C(C)C)S(=O)(=O)Cl.
What is the InChIKey of N-ethyl-N-propan-2-ylsulfamoyl chloride?
The InChIKey is XEKUITRZNQRMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-4-7(5(2)3)10(6,8)9/h5H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-ylsulfamoyl chloride?
N-ethyl-N-propan-2-ylsulfamoyl chloride has a molecular weight of 185.68 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylsulfamoyl chloride is sourced from PubChem (CID 43265685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).