methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate

C10H12F3NO5S2 — CID 102794865

IUPACmethyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H12F3NO5S2/c1-5-4-20-7(9(16)19-2)8(5)21(17,18)14-3-6(15)10(11,12)13/h4,6,14-15H,3H2,1-2H3
InChIKeyBBYDVAMGOURULR-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.04
Rot. Bonds5

About methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102794865) has the molecular formula C10H12F3NO5S2 and a molecular weight of 347.34 g/mol. Its IUPAC name is methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102794865
Molecular FormulaC10H12F3NO5S2
Molecular Weight347.34 g/mol
Exact Mass347.01
IUPAC Namemethyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H12F3NO5S2/c1-5-4-20-7(9(16)19-2)8(5)21(17,18)14-3-6(15)10(11,12)13/h4,6,14-15H,3H2,1-2H3
InChIKeyBBYDVAMGOURULR-UHFFFAOYSA-N
XLogP1.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
Methyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434496
Ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434497
Propan-2-yl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434532
Ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
Methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434698
Propyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434722
Propan-2-yl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434756
Propan-2-yl 3-chlorosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434834
3-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63828566
Methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
CID 102747797
4-Methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102748175

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate (CID 102794865) is methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is BBYDVAMGOURULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO5S2/c1-5-4-20-7(9(16)19-2)8(5)21(17,18)14-3-6(15)10(11,12)13/h4,6,14-15H,3H2,1-2H3.
What are the key properties of methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102794865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).