N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride

C9H18ClNO2S — CID 61451112

IUPACN-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride
SMILESCCC1CCC(N(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3
InChIKeyFNORHYMFNWHBFO-UHFFFAOYSA-N
MW239.77 g/mol
LogP2.37
Rot. Bonds3

About N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride

N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride (PubChem CID 61451112) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride
PubChem CID61451112
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride
SMILESCCC1CCC(N(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3
InChIKeyFNORHYMFNWHBFO-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride (CID 61451112) is N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride is CCC1CCC(N(C)S(=O)(=O)Cl)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride?
The InChIKey is FNORHYMFNWHBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride?
N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride has a molecular weight of 239.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methylsulfamoyl chloride is sourced from PubChem (CID 61451112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).