N-(2-formylphenyl)ethanesulfonamide

C9H11NO3S — CID 58259425

IUPACN-(2-formylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C=O
InChIInChI=1S/C9H11NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-7,10H,2H2,1H3
InChIKeyMQMCMKYIZADPNZ-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.26
Rot. Bonds4

About N-(2-formylphenyl)ethanesulfonamide

N-(2-formylphenyl)ethanesulfonamide (PubChem CID 58259425) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-formylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-formylphenyl)ethanesulfonamide
PubChem CID58259425
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(2-formylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C=O
InChIInChI=1S/C9H11NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-7,10H,2H2,1H3
InChIKeyMQMCMKYIZADPNZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.26
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-formylphenyl)ethanesulfonamide?
The IUPAC name of N-(2-formylphenyl)ethanesulfonamide (CID 58259425) is N-(2-formylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-formylphenyl)ethanesulfonamide?
The canonical SMILES for N-(2-formylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1C=O.
What is the InChIKey of N-(2-formylphenyl)ethanesulfonamide?
The InChIKey is MQMCMKYIZADPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-7,10H,2H2,1H3.
What are the key properties of N-(2-formylphenyl)ethanesulfonamide?
N-(2-formylphenyl)ethanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)ethanesulfonamide is sourced from PubChem (CID 58259425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).