N-(2-phenylethyl)sulfamoyl chloride

C8H10ClNO2S — CID 22279355

IUPACN-(2-phenylethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCc1ccccc1
InChIInChI=1S/C8H10ClNO2S/c9-13(11,12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyUABVLYIRSSTLNA-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.30
Rot. Bonds4

About N-(2-phenylethyl)sulfamoyl chloride

N-(2-phenylethyl)sulfamoyl chloride (PubChem CID 22279355) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-(2-phenylethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2-phenylethyl)sulfamoyl chloride
PubChem CID22279355
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-(2-phenylethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCc1ccccc1
InChIInChI=1S/C8H10ClNO2S/c9-13(11,12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyUABVLYIRSSTLNA-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)sulfamoyl chloride?
The IUPAC name of N-(2-phenylethyl)sulfamoyl chloride (CID 22279355) is N-(2-phenylethyl)sulfamoyl chloride.
What is the SMILES notation for N-(2-phenylethyl)sulfamoyl chloride?
The canonical SMILES for N-(2-phenylethyl)sulfamoyl chloride is O=S(=O)(Cl)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)sulfamoyl chloride?
The InChIKey is UABVLYIRSSTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c9-13(11,12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(2-phenylethyl)sulfamoyl chloride?
N-(2-phenylethyl)sulfamoyl chloride has a molecular weight of 219.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)sulfamoyl chloride is sourced from PubChem (CID 22279355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).