N-benzylcyclopropanesulfonamide

C10H13NO2S — CID 45497292

IUPACN-benzylcyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccccc1)C1CC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-7-10)11-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyZOEKJXNQFQWCGI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.27
Rot. Bonds4

About N-benzylcyclopropanesulfonamide

N-benzylcyclopropanesulfonamide (PubChem CID 45497292) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-benzylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-benzylcyclopropanesulfonamide
PubChem CID45497292
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-benzylcyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccccc1)C1CC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-7-10)11-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyZOEKJXNQFQWCGI-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzylcyclopropanesulfonamide?
The IUPAC name of N-benzylcyclopropanesulfonamide (CID 45497292) is N-benzylcyclopropanesulfonamide.
What is the SMILES notation for N-benzylcyclopropanesulfonamide?
The canonical SMILES for N-benzylcyclopropanesulfonamide is O=S(=O)(NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzylcyclopropanesulfonamide?
The InChIKey is ZOEKJXNQFQWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(13,10-6-7-10)11-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of N-benzylcyclopropanesulfonamide?
N-benzylcyclopropanesulfonamide has a molecular weight of 211.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclopropanesulfonamide is sourced from PubChem (CID 45497292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).