ethyl N-[(4-sulfamoylphenyl)methyl]carbamate

C10H14N2O4S — CID 5054603

IUPACethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O4S/c1-2-16-10(13)12-7-8-3-5-9(6-4-8)17(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyPWRGLCWLRAPYLW-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.58
Rot. Bonds4

About ethyl N-[(4-sulfamoylphenyl)methyl]carbamate

ethyl N-[(4-sulfamoylphenyl)methyl]carbamate (PubChem CID 5054603) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl N-[(4-sulfamoylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-sulfamoylphenyl)methyl]carbamate
PubChem CID5054603
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O4S/c1-2-16-10(13)12-7-8-3-5-9(6-4-8)17(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyPWRGLCWLRAPYLW-UHFFFAOYSA-N
XLogP0.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
CID 847829
6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6736715
non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6735198
2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6733948
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(4-sulfamoylphenyl)methyl]carbamate (CID 5054603) is ethyl N-[(4-sulfamoylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(4-sulfamoylphenyl)methyl]carbamate is CCOC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The InChIKey is PWRGLCWLRAPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-16-10(13)12-7-8-3-5-9(6-4-8)17(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate has a molecular weight of 258.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-sulfamoylphenyl)methyl]carbamate is sourced from PubChem (CID 5054603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).