4-fluoro-N-(1-oxothian-4-yl)benzamide

C12H14FNO2S — CID 115886679

IUPAC4-fluoro-N-(1-oxothian-4-yl)benzamide
SMILESO=C(NC1CCS(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-17(16)8-6-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyJEXZGXOWIOQPQD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.47
Rot. Bonds2

About 4-fluoro-N-(1-oxothian-4-yl)benzamide

4-fluoro-N-(1-oxothian-4-yl)benzamide (PubChem CID 115886679) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-fluoro-N-(1-oxothian-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-oxothian-4-yl)benzamide
PubChem CID115886679
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name4-fluoro-N-(1-oxothian-4-yl)benzamide
SMILESO=C(NC1CCS(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-17(16)8-6-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyJEXZGXOWIOQPQD-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
CID 115270262
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-bromo-2,6-difluoro-N-(1-oxothian-4-yl)benzamide
CID 104580801

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-oxothian-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-oxothian-4-yl)benzamide (CID 115886679) is 4-fluoro-N-(1-oxothian-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-oxothian-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-oxothian-4-yl)benzamide is O=C(NC1CCS(=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-oxothian-4-yl)benzamide?
The InChIKey is JEXZGXOWIOQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-17(16)8-6-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of 4-fluoro-N-(1-oxothian-4-yl)benzamide?
4-fluoro-N-(1-oxothian-4-yl)benzamide has a molecular weight of 255.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-oxothian-4-yl)benzamide is sourced from PubChem (CID 115886679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).