N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide

C11H15NO4S — CID 847928

IUPACN-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2OCCCO2)c1
InChIInChI=1S/C11H15NO4S/c1-17(13,14)12-10-5-2-4-9(8-10)11-15-6-3-7-16-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKeyQZJFAVQASSPBRB-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.49
Rot. Bonds3

About N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide

N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide (PubChem CID 847928) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide
PubChem CID847928
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2OCCCO2)c1
InChIInChI=1S/C11H15NO4S/c1-17(13,14)12-10-5-2-4-9(8-10)11-15-6-3-7-16-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKeyQZJFAVQASSPBRB-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide (CID 847928) is N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C2OCCCO2)c1.
What is the InChIKey of N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide?
The InChIKey is QZJFAVQASSPBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-17(13,14)12-10-5-2-4-9(8-10)11-15-6-3-7-16-11/h2,4-5,8,11-12H,3,6-7H2,1H3.
What are the key properties of N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide?
N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxan-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 847928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).