ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate

C7H14Cl2N2O4S — CID 114464074

IUPACethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)CCCl
InChIInChI=1S/C7H14Cl2N2O4S/c1-2-15-7(12)10-16(13,14)11(5-3-8)6-4-9/h2-6H2,1H3,(H,10,12)
InChIKeyBULPENPGBCAXJW-UHFFFAOYSA-N
MW293.17 g/mol
LogP0.76
Rot. Bonds7

About ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate

ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate (PubChem CID 114464074) has the molecular formula C7H14Cl2N2O4S and a molecular weight of 293.17 g/mol. Its IUPAC name is ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
PubChem CID114464074
Molecular FormulaC7H14Cl2N2O4S
Molecular Weight293.17 g/mol
Exact Mass292.01
IUPAC Nameethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)CCCl
InChIInChI=1S/C7H14Cl2N2O4S/c1-2-15-7(12)10-16(13,14)11(5-3-8)6-4-9/h2-6H2,1H3,(H,10,12)
InChIKeyBULPENPGBCAXJW-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
CID 114466236
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466863
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
CID 114466202
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518
ethyl N-[ethyl(piperidin-2-ylmethyl)sulfamoyl]carbamate
CID 106630320
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
CID 114464308

Frequently Asked Questions

What is the IUPAC name of ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate (CID 114464074) is ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CCCl)CCCl.
What is the InChIKey of ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate?
The InChIKey is BULPENPGBCAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2N2O4S/c1-2-15-7(12)10-16(13,14)11(5-3-8)6-4-9/h2-6H2,1H3,(H,10,12).
What are the key properties of ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate?
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate has a molecular weight of 293.17 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).