N-(2-oxoethyl)-1-phenylmethanesulfonamide

C9H11NO3S — CID 89052958

IUPACN-(2-oxoethyl)-1-phenylmethanesulfonamide
SMILESO=CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c11-7-6-10-14(12,13)8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyVVNDTUCBUQUYHJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.30
Rot. Bonds5

About N-(2-oxoethyl)-1-phenylmethanesulfonamide

N-(2-oxoethyl)-1-phenylmethanesulfonamide (PubChem CID 89052958) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-oxoethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-1-phenylmethanesulfonamide
PubChem CID89052958
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(2-oxoethyl)-1-phenylmethanesulfonamide
SMILESO=CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c11-7-6-10-14(12,13)8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyVVNDTUCBUQUYHJ-UHFFFAOYSA-N
XLogP0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-benzylsulfonylbenzenesulfonamide
CID 102116917
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
2-(benzylamino)acetaldehyde
CID 2769654
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-(2-cyanoethyl)-1-phenylmethanesulfonamide
CID 3754480
2-(benzylsulfonylamino)ethanethioamide
CID 61127504

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-oxoethyl)-1-phenylmethanesulfonamide (CID 89052958) is N-(2-oxoethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-oxoethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-oxoethyl)-1-phenylmethanesulfonamide is O=CCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-oxoethyl)-1-phenylmethanesulfonamide?
The InChIKey is VVNDTUCBUQUYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-7-6-10-14(12,13)8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2.
What are the key properties of N-(2-oxoethyl)-1-phenylmethanesulfonamide?
N-(2-oxoethyl)-1-phenylmethanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 89052958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).