N-(3-methyloxan-3-yl)benzenesulfonamide

C12H17NO3S — CID 103896537

IUPACN-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccccc2)CCCOC1
InChIInChI=1S/C12H17NO3S/c1-12(8-5-9-16-10-12)13-17(14,15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyPLXBZJSSYLSQRY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.53
Rot. Bonds3

About N-(3-methyloxan-3-yl)benzenesulfonamide

N-(3-methyloxan-3-yl)benzenesulfonamide (PubChem CID 103896537) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3-methyloxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyloxan-3-yl)benzenesulfonamide
PubChem CID103896537
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccccc2)CCCOC1
InChIInChI=1S/C12H17NO3S/c1-12(8-5-9-16-10-12)13-17(14,15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyPLXBZJSSYLSQRY-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-methyloxan-3-yl)benzenesulfonamide (CID 103896537) is N-(3-methyloxan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyloxan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-methyloxan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccccc2)CCCOC1.
What is the InChIKey of N-(3-methyloxan-3-yl)benzenesulfonamide?
The InChIKey is PLXBZJSSYLSQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(8-5-9-16-10-12)13-17(14,15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of N-(3-methyloxan-3-yl)benzenesulfonamide?
N-(3-methyloxan-3-yl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103896537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).