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

C13H9Cl2F2NO5S2 — CID 71940232

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1OC(F)F
InChIInChI=1S/C13H9Cl2F2NO5S2/c1-22-7-4-2-3-6(10(7)23-13(16)17)12(19)18-25(20,21)8-5-9(14)24-11(8)15/h2-5,13H,1H3,(H,18,19)
InChIKeyQZUGWAKDPDEGJB-UHFFFAOYSA-N
MW432.25 g/mol
LogP3.78
Rot. Bonds6

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

N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 71940232) has the molecular formula C13H9Cl2F2NO5S2 and a molecular weight of 432.25 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID71940232
Molecular FormulaC13H9Cl2F2NO5S2
Molecular Weight432.25 g/mol
Exact Mass430.93
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1OC(F)F
InChIInChI=1S/C13H9Cl2F2NO5S2/c1-22-7-4-2-3-6(10(7)23-13(16)17)12(19)18-25(20,21)8-5-9(14)24-11(8)15/h2-5,13H,1H3,(H,18,19)
InChIKeyQZUGWAKDPDEGJB-UHFFFAOYSA-N
XLogP3.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide (CID 71940232) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1OC(F)F.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is QZUGWAKDPDEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO5S2/c1-22-7-4-2-3-6(10(7)23-13(16)17)12(19)18-25(20,21)8-5-9(14)24-11(8)15/h2-5,13H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 432.25 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 71940232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).