N-(2-methylsulfonylphenyl)formamide

C8H9NO3S — CID 13275816

IUPACN-(2-methylsulfonylphenyl)formamide
SMILESCS(=O)(=O)c1ccccc1NC=O
InChIInChI=1S/C8H9NO3S/c1-13(11,12)8-5-3-2-4-7(8)9-6-10/h2-6H,1H3,(H,9,10)
InChIKeyATBBPMQRMPRHJJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.66
Rot. Bonds3

About N-(2-methylsulfonylphenyl)formamide

N-(2-methylsulfonylphenyl)formamide (PubChem CID 13275816) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)formamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)formamide
PubChem CID13275816
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC NameN-(2-methylsulfonylphenyl)formamide
SMILESCS(=O)(=O)c1ccccc1NC=O
InChIInChI=1S/C8H9NO3S/c1-13(11,12)8-5-3-2-4-7(8)9-6-10/h2-6H,1H3,(H,9,10)
InChIKeyATBBPMQRMPRHJJ-UHFFFAOYSA-N
XLogP0.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)formamide?
The IUPAC name of N-(2-methylsulfonylphenyl)formamide (CID 13275816) is N-(2-methylsulfonylphenyl)formamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)formamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)formamide is CS(=O)(=O)c1ccccc1NC=O.
What is the InChIKey of N-(2-methylsulfonylphenyl)formamide?
The InChIKey is ATBBPMQRMPRHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-13(11,12)8-5-3-2-4-7(8)9-6-10/h2-6H,1H3,(H,9,10).
What are the key properties of N-(2-methylsulfonylphenyl)formamide?
N-(2-methylsulfonylphenyl)formamide has a molecular weight of 199.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)formamide is sourced from PubChem (CID 13275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).