N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide

C12H17NO3S — CID 2853608

IUPACN-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C12H17NO3S/c14-17(15,10-11-5-2-1-3-6-11)13-9-12-7-4-8-16-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyCBBFRURBMYWMFO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.28
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide

N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide (PubChem CID 2853608) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide
PubChem CID2853608
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C12H17NO3S/c14-17(15,10-11-5-2-1-3-6-11)13-9-12-7-4-8-16-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyCBBFRURBMYWMFO-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide (CID 2853608) is N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide?
The InChIKey is CBBFRURBMYWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,10-11-5-2-1-3-6-11)13-9-12-7-4-8-16-12/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide?
N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 2853608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).