[methanesulfonamido(phenyl)methyl] formate

C9H11NO4S — CID 173026260

IUPAC[methanesulfonamido(phenyl)methyl] formate
SMILESCS(=O)(=O)NC(OC=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-15(12,13)10-9(14-7-11)8-5-3-2-4-6-8/h2-7,9-10H,1H3
InChIKeyJGNNBZRSQXEXTI-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.41
Rot. Bonds5

About [methanesulfonamido(phenyl)methyl] formate

[methanesulfonamido(phenyl)methyl] formate (PubChem CID 173026260) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is [methanesulfonamido(phenyl)methyl] formate.

Molecular Properties

Compound Name[methanesulfonamido(phenyl)methyl] formate
PubChem CID173026260
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name[methanesulfonamido(phenyl)methyl] formate
SMILESCS(=O)(=O)NC(OC=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-15(12,13)10-9(14-7-11)8-5-3-2-4-6-8/h2-7,9-10H,1H3
InChIKeyJGNNBZRSQXEXTI-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-phenylethyl] formate
CID 76963066
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
1-benzhydrylsilylethyl formate
CID 123160635
[(1S)-2-amino-1-phenylpropyl] formate
CID 118541108
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
CID 110287123
methyl (Z)-4-iodo-3-[methanesulfonamido(phenyl)methyl]but-3-enoate
CID 102251807
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
CID 71744476
1-phenylpentyl formate
CID 54289292
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320

Frequently Asked Questions

What is the IUPAC name of [methanesulfonamido(phenyl)methyl] formate?
The IUPAC name of [methanesulfonamido(phenyl)methyl] formate (CID 173026260) is [methanesulfonamido(phenyl)methyl] formate.
What is the SMILES notation for [methanesulfonamido(phenyl)methyl] formate?
The canonical SMILES for [methanesulfonamido(phenyl)methyl] formate is CS(=O)(=O)NC(OC=O)c1ccccc1.
What is the InChIKey of [methanesulfonamido(phenyl)methyl] formate?
The InChIKey is JGNNBZRSQXEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-15(12,13)10-9(14-7-11)8-5-3-2-4-6-8/h2-7,9-10H,1H3.
What are the key properties of [methanesulfonamido(phenyl)methyl] formate?
[methanesulfonamido(phenyl)methyl] formate has a molecular weight of 229.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methanesulfonamido(phenyl)methyl] formate is sourced from PubChem (CID 173026260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).