N-(oxolan-3-ylmethyl)benzenesulfonamide

C11H15NO3S — CID 47203502

IUPACN-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)12-8-10-6-7-15-9-10/h1-5,10,12H,6-9H2
InChIKeyKESAMDAXIYRTJD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.00
Rot. Bonds4

About N-(oxolan-3-ylmethyl)benzenesulfonamide

N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 47203502) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID47203502
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)12-8-10-6-7-15-9-10/h1-5,10,12H,6-9H2
InChIKeyKESAMDAXIYRTJD-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
2-amino-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62825249

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 47203502) is N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOC1)c1ccccc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is KESAMDAXIYRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)12-8-10-6-7-15-9-10/h1-5,10,12H,6-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)benzenesulfonamide?
N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47203502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).