N-phenylethanesulfonamide

C8H11NO2S — CID 767447

IUPACN-phenylethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C8H11NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyIQVSWLPEOQMCQD-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.45
Rot. Bonds3

About N-phenylethanesulfonamide

N-phenylethanesulfonamide (PubChem CID 767447) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-phenylethanesulfonamide.

Molecular Properties

Compound NameN-phenylethanesulfonamide
PubChem CID767447
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-phenylethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C8H11NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyIQVSWLPEOQMCQD-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylethanesulfonamide?
The IUPAC name of N-phenylethanesulfonamide (CID 767447) is N-phenylethanesulfonamide.
What is the SMILES notation for N-phenylethanesulfonamide?
The canonical SMILES for N-phenylethanesulfonamide is CCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-phenylethanesulfonamide?
The InChIKey is IQVSWLPEOQMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of N-phenylethanesulfonamide?
N-phenylethanesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylethanesulfonamide is sourced from PubChem (CID 767447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).