methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate

C12H9F2NO4S2 — CID 3763232

IUPACmethyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H9F2NO4S2/c1-19-12(16)7-5-20-6-10(7)15-21(17,18)11-8(13)3-2-4-9(11)14/h2-6,15H,1H3
InChIKeyFQZRYMCUUIGZEX-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.61
Rot. Bonds4

About methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate

methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 3763232) has the molecular formula C12H9F2NO4S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
PubChem CID3763232
Molecular FormulaC12H9F2NO4S2
Molecular Weight333.34 g/mol
Exact Mass332.99
IUPAC Namemethyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H9F2NO4S2/c1-19-12(16)7-5-20-6-10(7)15-21(17,18)11-8(13)3-2-4-9(11)14/h2-6,15H,1H3
InChIKeyFQZRYMCUUIGZEX-UHFFFAOYSA-N
XLogP2.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
CID 8501038
3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoic acid
CID 71269303
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
CID 25046544
2-[(2,6-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 29425469
methyl 3-fluoro-2-(methanesulfonamido)benzoate
CID 58029841
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
2,6-difluoro-N-(2-methoxy-5-pyridin-2-yl-3-pyridinyl)benzenesulfonamide
CID 175876011
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate (CID 3763232) is methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate is COC(=O)c1cscc1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is FQZRYMCUUIGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4S2/c1-19-12(16)7-5-20-6-10(7)15-21(17,18)11-8(13)3-2-4-9(11)14/h2-6,15H,1H3.
What are the key properties of methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate?
methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 3763232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).