N-(oxan-3-ylmethyl)benzenesulfonamide

C12H17NO3S — CID 47320394

IUPACN-(oxan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccccc1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-6-2-1-3-7-12)13-9-11-5-4-8-16-10-11/h1-3,6-7,11,13H,4-5,8-10H2
InChIKeyCHSNREWXTNLFIJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.39
Rot. Bonds4

About N-(oxan-3-ylmethyl)benzenesulfonamide

N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 47320394) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID47320394
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(oxan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccccc1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-6-2-1-3-7-12)13-9-11-5-4-8-16-10-11/h1-3,6-7,11,13H,4-5,8-10H2
InChIKeyCHSNREWXTNLFIJ-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
4-fluoro-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 47072817
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(oxan-3-ylmethyl)benzenesulfonamide (CID 47320394) is N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(oxan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCOC1)c1ccccc1.
What is the InChIKey of N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is CHSNREWXTNLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,12-6-2-1-3-7-12)13-9-11-5-4-8-16-10-11/h1-3,6-7,11,13H,4-5,8-10H2.
What are the key properties of N-(oxan-3-ylmethyl)benzenesulfonamide?
N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47320394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).