N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide

C18H17F2NO4S2 — CID 9046567

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17F2NO4S2/c19-18(20)25-13-7-5-12(6-8-13)21-17(22)15-3-1-2-4-16(15)26-14-9-10-27(23,24)11-14/h1-8,14,18H,9-11H2,(H,21,22)/t14-/m0/s1
InChIKeyYMGDNMZCPUQRKI-AWEZNQCLSA-N
MW413.47 g/mol
LogP3.82
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide

N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide (PubChem CID 9046567) has the molecular formula C18H17F2NO4S2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
PubChem CID9046567
Molecular FormulaC18H17F2NO4S2
Molecular Weight413.47 g/mol
Exact Mass413.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17F2NO4S2/c19-18(20)25-13-7-5-12(6-8-13)21-17(22)15-3-1-2-4-16(15)26-14-9-10-27(23,24)11-14/h1-8,14,18H,9-11H2,(H,21,22)/t14-/m0/s1
InChIKeyYMGDNMZCPUQRKI-AWEZNQCLSA-N
XLogP3.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide (CID 9046567) is N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The InChIKey is YMGDNMZCPUQRKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2NO4S2/c19-18(20)25-13-7-5-12(6-8-13)21-17(22)15-3-1-2-4-16(15)26-14-9-10-27(23,24)11-14/h1-8,14,18H,9-11H2,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide is sourced from PubChem (CID 9046567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).