N-(oxolan-2-ylmethyl)benzenesulfonamide

C11H15NO3S — CID 5029416

IUPACN-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyCSUPLJBSDPBIIQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.14
Rot. Bonds4

About N-(oxolan-2-ylmethyl)benzenesulfonamide

N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 5029416) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID5029416
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyCSUPLJBSDPBIIQ-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.14
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)benzenesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 5029416) is N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is CSUPLJBSDPBIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)benzenesulfonamide?
N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 5029416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).