ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate

C12H17ClN2O4S — CID 105060300

IUPACethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C12H17ClN2O4S/c1-3-19-11(16)14-20(17,18)15-12(2,9-13)10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,14,16)
InChIKeyJNJYGZRTDHYKAH-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.72
Rot. Bonds6

About ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate

ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate (PubChem CID 105060300) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
PubChem CID105060300
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Nameethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C12H17ClN2O4S/c1-3-19-11(16)14-20(17,18)15-12(2,9-13)10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,14,16)
InChIKeyJNJYGZRTDHYKAH-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.72
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

N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl N-(phenacylsulfamoyl)carbamate
CID 114463715
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
CID 105060342
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate (CID 105060300) is ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC(C)(CCl)c1ccccc1.
What is the InChIKey of ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate?
The InChIKey is JNJYGZRTDHYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-3-19-11(16)14-20(17,18)15-12(2,9-13)10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate?
ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate has a molecular weight of 320.80 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 105060300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).