N-(2-acetylphenyl)methanesulfonamide

C9H11NO3S — CID 2767200

IUPACN-(2-acetylphenyl)methanesulfonamide
SMILESCC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h3-6,10H,1-2H3
InChIKeyLBGKSJBYJPWYPE-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.26
Rot. Bonds3

About N-(2-acetylphenyl)methanesulfonamide

N-(2-acetylphenyl)methanesulfonamide (PubChem CID 2767200) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-acetylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)methanesulfonamide
PubChem CID2767200
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(2-acetylphenyl)methanesulfonamide
SMILESCC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h3-6,10H,1-2H3
InChIKeyLBGKSJBYJPWYPE-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)methanesulfonamide?
The IUPAC name of N-(2-acetylphenyl)methanesulfonamide (CID 2767200) is N-(2-acetylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)methanesulfonamide is CC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-acetylphenyl)methanesulfonamide?
The InChIKey is LBGKSJBYJPWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)8-5-3-4-6-9(8)10-14(2,12)13/h3-6,10H,1-2H3.
What are the key properties of N-(2-acetylphenyl)methanesulfonamide?
N-(2-acetylphenyl)methanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)methanesulfonamide is sourced from PubChem (CID 2767200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).