benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate

C17H15N3O5S — CID 10474485

IUPACbenzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1)OCc1ccccc1
InChIInChI=1S/C17H15N3O5S/c21-17(24-12-14-4-2-1-3-5-14)19-26(22,23)25-16-8-6-15(7-9-16)20-11-10-18-13-20/h1-11,13H,12H2,(H,19,21)
InChIKeyBQYNUNRTZRJOKI-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.42
Rot. Bonds6

About benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate

benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate (PubChem CID 10474485) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
PubChem CID10474485
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Namebenzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1)OCc1ccccc1
InChIInChI=1S/C17H15N3O5S/c21-17(24-12-14-4-2-1-3-5-14)19-26(22,23)25-16-8-6-15(7-9-16)20-11-10-18-13-20/h1-11,13H,12H2,(H,19,21)
InChIKeyBQYNUNRTZRJOKI-UHFFFAOYSA-N
XLogP2.42
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride
CID 142764666
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737
5-[5-(4-imidazol-1-ylphenyl)tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;hydrochloride
CID 70089529
(4-imidazol-1-ylphenyl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 11744015
(4-imidazol-1-ylphenyl) 2-fluorobenzenesulfonate
CID 31391458
benzyl N-[2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propyl]carbamate
CID 171856672
(2S)-6-amino-N-(4-imidazol-1-ylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]hexanamide
CID 91493677
(4-imidazol-1-ylphenyl) furan-2-carboxylate
CID 836219
methyl 2-[[4-[2-(4-imidazol-1-ylphenoxy)ethyl]phenoxy]methyl]benzoate
CID 68869830
benzyl N-[(1S)-1-amino-3-imidazol-1-yl-3-oxopropyl]carbamate
CID 167081038

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate?
The IUPAC name of benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate (CID 10474485) is benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate.
What is the SMILES notation for benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate?
The canonical SMILES for benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate is O=C(NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate?
The InChIKey is BQYNUNRTZRJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c21-17(24-12-14-4-2-1-3-5-14)19-26(22,23)25-16-8-6-15(7-9-16)20-11-10-18-13-20/h1-11,13H,12H2,(H,19,21).
What are the key properties of benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate?
benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate has a molecular weight of 373.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate is sourced from PubChem (CID 10474485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).