benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate

C15H15NO5S — CID 102339800

IUPACbenzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate
SMILESO=C(OCc1ccccc1)N(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-15(21-11-13-7-3-1-4-8-13)16(18)12-22(19,20)14-9-5-2-6-10-14/h1-10,18H,11-12H2
InChIKeyUPYNWYMCFDWKNR-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.45
Rot. Bonds5

About benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate

benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate (PubChem CID 102339800) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate.

Molecular Properties

Compound Namebenzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate
PubChem CID102339800
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namebenzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate
SMILESO=C(OCc1ccccc1)N(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-15(21-11-13-7-3-1-4-8-13)16(18)12-22(19,20)14-9-5-2-6-10-14/h1-10,18H,11-12H2
InChIKeyUPYNWYMCFDWKNR-UHFFFAOYSA-N
XLogP2.45
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl N-amino-N-(2-methylsulfonylethyl)carbamate
CID 10492407
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl N-benzyl-N-ethylcarbamate
CID 70968693

Frequently Asked Questions

What is the IUPAC name of benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate?
The IUPAC name of benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate (CID 102339800) is benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate.
What is the SMILES notation for benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate?
The canonical SMILES for benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate is O=C(OCc1ccccc1)N(O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate?
The InChIKey is UPYNWYMCFDWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-15(21-11-13-7-3-1-4-8-13)16(18)12-22(19,20)14-9-5-2-6-10-14/h1-10,18H,11-12H2.
What are the key properties of benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate?
benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate has a molecular weight of 321.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate is sourced from PubChem (CID 102339800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).