ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate

C11H16N2O5S — CID 114464098

IUPACethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-8-10(14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15)
InChIKeyQDSVTJYRXZRVHS-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.30
Rot. Bonds6

About ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate

ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate (PubChem CID 114464098) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
PubChem CID114464098
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Nameethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-8-10(14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15)
InChIKeyQDSVTJYRXZRVHS-UHFFFAOYSA-N
XLogP0.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
ethyl N-(phenacylsulfamoyl)carbamate
CID 114463715
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
ethyl (2S)-2-(benzylsulfamoylcarbamoyloxy)propanoate
CID 10758791
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate (CID 114464098) is ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC(O)c1ccccc1.
What is the InChIKey of ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate?
The InChIKey is QDSVTJYRXZRVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-18-11(15)13-19(16,17)12-8-10(14)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3,(H,13,15).
What are the key properties of ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate?
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate has a molecular weight of 288.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).