N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide

C17H13ClFNO3S — CID 40505446

IUPACN-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-4-2-6-15(10-13)20(16-7-8-24(22,23)11-16)17(21)12-3-1-5-14(19)9-12/h1-10,16H,11H2/t16-/m0/s1
InChIKeyCBYBTXNPCGIXGM-INIZCTEOSA-N
MW365.81 g/mol
LogP3.44
Rot. Bonds3

About N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide

N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide (PubChem CID 40505446) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
PubChem CID40505446
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC NameN-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-4-2-6-15(10-13)20(16-7-8-24(22,23)11-16)17(21)12-3-1-5-14(19)9-12/h1-10,16H,11H2/t16-/m0/s1
InChIKeyCBYBTXNPCGIXGM-INIZCTEOSA-N
XLogP3.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
CID 7152304
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(3-methylphenyl)benzamide
CID 9196286
4-tert-butyl-N-(3-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 43954685
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(4-methoxyphenyl)benzamide
CID 40505789
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 40505435
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-ethoxybenzamide
CID 40505455
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methylbenzamide
CID 40505440
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(trifluoromethyl)benzamide
CID 27545952
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)benzamide
CID 43954723

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide (CID 40505446) is N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide is O=C(c1cccc(F)c1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide?
The InChIKey is CBYBTXNPCGIXGM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c18-13-4-2-6-15(10-13)20(16-7-8-24(22,23)11-16)17(21)12-3-1-5-14(19)9-12/h1-10,16H,11H2/t16-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide?
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide has a molecular weight of 365.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 40505446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).