methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate

C13H13NO5S2 — CID 868244

IUPACmethyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H13NO5S2/c1-18-9-3-5-10(6-4-9)21(16,17)14-11-7-8-20-12(11)13(15)19-2/h3-8,14H,1-2H3
InChIKeyCFFRKUKUGKQGFU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds5

About methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 868244) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID868244
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H13NO5S2/c1-18-9-3-5-10(6-4-9)21(16,17)14-11-7-8-20-12(11)13(15)19-2/h3-8,14H,1-2H3
InChIKeyCFFRKUKUGKQGFU-UHFFFAOYSA-N
XLogP2.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
CID 2808375
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate (CID 868244) is methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is CFFRKUKUGKQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-18-9-3-5-10(6-4-9)21(16,17)14-11-7-8-20-12(11)13(15)19-2/h3-8,14H,1-2H3.
What are the key properties of methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 868244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).