N-(benzenesulfonylmethyl)formamide

C8H9NO3S — CID 19855543

IUPACN-(benzenesulfonylmethyl)formamide
SMILESO=CNCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c10-6-9-7-13(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,9,10)
InChIKeyBMTTYUJPCJVXEU-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.16
Rot. Bonds4

About N-(benzenesulfonylmethyl)formamide

N-(benzenesulfonylmethyl)formamide (PubChem CID 19855543) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(benzenesulfonylmethyl)formamide.

Molecular Properties

Compound NameN-(benzenesulfonylmethyl)formamide
PubChem CID19855543
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC NameN-(benzenesulfonylmethyl)formamide
SMILESO=CNCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c10-6-9-7-13(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,9,10)
InChIKeyBMTTYUJPCJVXEU-UHFFFAOYSA-N
XLogP0.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.16
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-(benzenesulfonylmethyl)formamide?
The IUPAC name of N-(benzenesulfonylmethyl)formamide (CID 19855543) is N-(benzenesulfonylmethyl)formamide.
What is the SMILES notation for N-(benzenesulfonylmethyl)formamide?
The canonical SMILES for N-(benzenesulfonylmethyl)formamide is O=CNCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonylmethyl)formamide?
The InChIKey is BMTTYUJPCJVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-6-9-7-13(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,9,10).
What are the key properties of N-(benzenesulfonylmethyl)formamide?
N-(benzenesulfonylmethyl)formamide has a molecular weight of 199.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonylmethyl)formamide is sourced from PubChem (CID 19855543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).