methyl N-(4-chloropentylsulfamoyl)carbamate

C7H15ClN2O4S — CID 106135524

IUPACmethyl N-(4-chloropentylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCC(C)Cl
InChIInChI=1S/C7H15ClN2O4S/c1-6(8)4-3-5-9-15(12,13)10-7(11)14-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyXUIWXKHCGLANKA-UHFFFAOYSA-N
MW258.73 g/mol
LogP0.58
Rot. Bonds6

About methyl N-(4-chloropentylsulfamoyl)carbamate

methyl N-(4-chloropentylsulfamoyl)carbamate (PubChem CID 106135524) has the molecular formula C7H15ClN2O4S and a molecular weight of 258.73 g/mol. Its IUPAC name is methyl N-(4-chloropentylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloropentylsulfamoyl)carbamate
PubChem CID106135524
Molecular FormulaC7H15ClN2O4S
Molecular Weight258.73 g/mol
Exact Mass258.04
IUPAC Namemethyl N-(4-chloropentylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCC(C)Cl
InChIInChI=1S/C7H15ClN2O4S/c1-6(8)4-3-5-9-15(12,13)10-7(11)14-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyXUIWXKHCGLANKA-UHFFFAOYSA-N
XLogP0.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloropentylsulfamoyl)carbamate?
The IUPAC name of methyl N-(4-chloropentylsulfamoyl)carbamate (CID 106135524) is methyl N-(4-chloropentylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(4-chloropentylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(4-chloropentylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCCCC(C)Cl.
What is the InChIKey of methyl N-(4-chloropentylsulfamoyl)carbamate?
The InChIKey is XUIWXKHCGLANKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O4S/c1-6(8)4-3-5-9-15(12,13)10-7(11)14-2/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(4-chloropentylsulfamoyl)carbamate?
methyl N-(4-chloropentylsulfamoyl)carbamate has a molecular weight of 258.73 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloropentylsulfamoyl)carbamate is sourced from PubChem (CID 106135524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).