N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide

C16H16FNO4S — CID 601167

IUPACN-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4S/c17-13-5-7-15(8-6-13)23(19,20)18-14-4-1-3-12(11-14)16-21-9-2-10-22-16/h1,3-8,11,16,18H,2,9-10H2
InChIKeyWPSIASBDMAFKEP-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.06
Rot. Bonds4

About N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide

N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 601167) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID601167
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC NameN-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4S/c17-13-5-7-15(8-6-13)23(19,20)18-14-4-1-3-12(11-14)16-21-9-2-10-22-16/h1,3-8,11,16,18H,2,9-10H2
InChIKeyWPSIASBDMAFKEP-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.06
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]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide (CID 601167) is N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(C2OCCCO2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is WPSIASBDMAFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c17-13-5-7-15(8-6-13)23(19,20)18-14-4-1-3-12(11-14)16-21-9-2-10-22-16/h1,3-8,11,16,18H,2,9-10H2.
What are the key properties of N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide?
N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 3.06, 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 601167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).