3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide

C14H13F2NO5S2 — CID 55823072

IUPAC3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C)s2)cc1OC(F)F
InChIInChI=1S/C14H13F2NO5S2/c1-8-3-6-12(23-8)24(19,20)17-13(18)9-4-5-10(21-2)11(7-9)22-14(15)16/h3-7,14H,1-2H3,(H,17,18)
InChIKeyGQSCYIXEMIIHLB-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.79
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide

3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide (PubChem CID 55823072) has the molecular formula C14H13F2NO5S2 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide
PubChem CID55823072
Molecular FormulaC14H13F2NO5S2
Molecular Weight377.39 g/mol
Exact Mass377.02
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C)s2)cc1OC(F)F
InChIInChI=1S/C14H13F2NO5S2/c1-8-3-6-12(23-8)24(19,20)17-13(18)9-4-5-10(21-2)11(7-9)22-14(15)16/h3-7,14H,1-2H3,(H,17,18)
InChIKeyGQSCYIXEMIIHLB-UHFFFAOYSA-N
XLogP2.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide (CID 55823072) is 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide is COc1ccc(C(=O)NS(=O)(=O)c2ccc(C)s2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The InChIKey is GQSCYIXEMIIHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO5S2/c1-8-3-6-12(23-8)24(19,20)17-13(18)9-4-5-10(21-2)11(7-9)22-14(15)16/h3-7,14H,1-2H3,(H,17,18).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide has a molecular weight of 377.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(5-methylthiophen-2-yl)sulfonylbenzamide is sourced from PubChem (CID 55823072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).