N-oxo-1-phenylmethanesulfonamide

C7H7NO3S — CID 87885271

IUPACN-oxo-1-phenylmethanesulfonamide
SMILESO=NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C7H7NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyANYPKQAKXLMREJ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.28
Rot. Bonds3

About N-oxo-1-phenylmethanesulfonamide

N-oxo-1-phenylmethanesulfonamide (PubChem CID 87885271) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is N-oxo-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-oxo-1-phenylmethanesulfonamide
PubChem CID87885271
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC NameN-oxo-1-phenylmethanesulfonamide
SMILESO=NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C7H7NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyANYPKQAKXLMREJ-UHFFFAOYSA-N
XLogP1.28
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-oxo-1-phenylmethanesulfonamide?
The IUPAC name of N-oxo-1-phenylmethanesulfonamide (CID 87885271) is N-oxo-1-phenylmethanesulfonamide.
What is the SMILES notation for N-oxo-1-phenylmethanesulfonamide?
The canonical SMILES for N-oxo-1-phenylmethanesulfonamide is O=NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-oxo-1-phenylmethanesulfonamide?
The InChIKey is ANYPKQAKXLMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of N-oxo-1-phenylmethanesulfonamide?
N-oxo-1-phenylmethanesulfonamide has a molecular weight of 185.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-1-phenylmethanesulfonamide is sourced from PubChem (CID 87885271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).