N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide

C18H16F2N2O3S — CID 91754971

IUPACN-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)N1CCC(F)(F)CC1
InChIInChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23)
InChIKeyCHISZLOVTPVOGH-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.76
Rot. Bonds1

About N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide

N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide (PubChem CID 91754971) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide
PubChem CID91754971
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC NameN-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)N1CCC(F)(F)CC1
InChIInChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23)
InChIKeyCHISZLOVTPVOGH-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide (CID 91754971) is N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide is O=C(Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)N1CCC(F)(F)CC1.
What is the InChIKey of N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is CHISZLOVTPVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23).
What are the key properties of N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide?
N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 91754971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).