ethyl N-(2-chloroethylsulfamoyl)carbamate

C5H11ClN2O4S — CID 114464062

IUPACethyl N-(2-chloroethylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCl
InChIInChI=1S/C5H11ClN2O4S/c1-2-12-5(9)8-13(10,11)7-4-3-6/h7H,2-4H2,1H3,(H,8,9)
InChIKeyODWWFABVBXZSMZ-UHFFFAOYSA-N
MW230.67 g/mol
LogP-0.19
Rot. Bonds5

About ethyl N-(2-chloroethylsulfamoyl)carbamate

ethyl N-(2-chloroethylsulfamoyl)carbamate (PubChem CID 114464062) has the molecular formula C5H11ClN2O4S and a molecular weight of 230.67 g/mol. Its IUPAC name is ethyl N-(2-chloroethylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-chloroethylsulfamoyl)carbamate
PubChem CID114464062
Molecular FormulaC5H11ClN2O4S
Molecular Weight230.67 g/mol
Exact Mass230.01
IUPAC Nameethyl N-(2-chloroethylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCl
InChIInChI=1S/C5H11ClN2O4S/c1-2-12-5(9)8-13(10,11)7-4-3-6/h7H,2-4H2,1H3,(H,8,9)
InChIKeyODWWFABVBXZSMZ-UHFFFAOYSA-N
XLogP-0.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-chloroethylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(2-chloroethylsulfamoyl)carbamate (CID 114464062) is ethyl N-(2-chloroethylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(2-chloroethylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(2-chloroethylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCCCl.
What is the InChIKey of ethyl N-(2-chloroethylsulfamoyl)carbamate?
The InChIKey is ODWWFABVBXZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O4S/c1-2-12-5(9)8-13(10,11)7-4-3-6/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of ethyl N-(2-chloroethylsulfamoyl)carbamate?
ethyl N-(2-chloroethylsulfamoyl)carbamate has a molecular weight of 230.67 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-chloroethylsulfamoyl)carbamate is sourced from PubChem (CID 114464062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).