N-methyl-N-(2-phenylethyl)sulfamoyl chloride

C9H12ClNO2S — CID 22326596

IUPACN-methyl-N-(2-phenylethyl)sulfamoyl chloride
SMILESCN(CCc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO2S/c1-11(14(10,12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyISCAMBXOCUKHCZ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)sulfamoyl chloride

N-methyl-N-(2-phenylethyl)sulfamoyl chloride (PubChem CID 22326596) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)sulfamoyl chloride
PubChem CID22326596
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-methyl-N-(2-phenylethyl)sulfamoyl chloride
SMILESCN(CCc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO2S/c1-11(14(10,12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyISCAMBXOCUKHCZ-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)sulfamoyl chloride?
The IUPAC name of N-methyl-N-(2-phenylethyl)sulfamoyl chloride (CID 22326596) is N-methyl-N-(2-phenylethyl)sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)sulfamoyl chloride?
The canonical SMILES for N-methyl-N-(2-phenylethyl)sulfamoyl chloride is CN(CCc1ccccc1)S(=O)(=O)Cl.
What is the InChIKey of N-methyl-N-(2-phenylethyl)sulfamoyl chloride?
The InChIKey is ISCAMBXOCUKHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-11(14(10,12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)sulfamoyl chloride?
N-methyl-N-(2-phenylethyl)sulfamoyl chloride has a molecular weight of 233.72 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)sulfamoyl chloride is sourced from PubChem (CID 22326596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).