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

C16H17NO4S — CID 1265273

IUPACN-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-22(19,15-8-2-1-3-9-15)17-14-7-4-6-13(12-14)16-20-10-5-11-21-16/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyYPAFJSSBJILRLC-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.92
Rot. Bonds4

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

N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide (PubChem CID 1265273) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide
PubChem CID1265273
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-22(19,15-8-2-1-3-9-15)17-14-7-4-6-13(12-14)16-20-10-5-11-21-16/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyYPAFJSSBJILRLC-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.92
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]benzenesulfonamide?
The IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide (CID 1265273) is N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccccc1.
What is the InChIKey of N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is YPAFJSSBJILRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-22(19,15-8-2-1-3-9-15)17-14-7-4-6-13(12-14)16-20-10-5-11-21-16/h1-4,6-9,12,16-17H,5,10-11H2.
What are the key properties of N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide?
N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.92, 4 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]benzenesulfonamide is sourced from PubChem (CID 1265273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).