N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide

C12H8Cl2FNO4S2 — CID 112839236

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2FNO4S2/c1-20-8-3-2-6(15)4-7(8)12(17)16-22(18,19)9-5-10(13)21-11(9)14/h2-5H,1H3,(H,16,17)
InChIKeyAXNFPSSWQDMFKK-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.32
Rot. Bonds4

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide (PubChem CID 112839236) has the molecular formula C12H8Cl2FNO4S2 and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide
PubChem CID112839236
Molecular FormulaC12H8Cl2FNO4S2
Molecular Weight384.24 g/mol
Exact Mass382.93
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2FNO4S2/c1-20-8-3-2-6(15)4-7(8)12(17)16-22(18,19)9-5-10(13)21-11(9)14/h2-5H,1H3,(H,16,17)
InChIKeyAXNFPSSWQDMFKK-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide (CID 112839236) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide?
The InChIKey is AXNFPSSWQDMFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO4S2/c1-20-8-3-2-6(15)4-7(8)12(17)16-22(18,19)9-5-10(13)21-11(9)14/h2-5H,1H3,(H,16,17).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide has a molecular weight of 384.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 112839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).