methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate

C10H12ClNO4S2 — CID 102749254

IUPACmethyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESC=C(Cl)CNS(=O)(=O)c1c(C)csc1C(=O)OC
InChIInChI=1S/C10H12ClNO4S2/c1-6-5-17-8(10(13)16-3)9(6)18(14,15)12-4-7(2)11/h5,12H,2,4H2,1,3H3
InChIKeyYLJBZJOWQWQYNH-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.87
Rot. Bonds5

About methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate

methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate (PubChem CID 102749254) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
PubChem CID102749254
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Namemethyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
SMILESC=C(Cl)CNS(=O)(=O)c1c(C)csc1C(=O)OC
InChIInChI=1S/C10H12ClNO4S2/c1-6-5-17-8(10(13)16-3)9(6)18(14,15)12-4-7(2)11/h5,12H,2,4H2,1,3H3
InChIKeyYLJBZJOWQWQYNH-UHFFFAOYSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
CID 11299311
2-Thiophenecarboxylic Acid, 3-(((2-Methoxy-2-Oxoethyl)Amino)Sulfonyl)-, Methyl Ester
CID 717593
3-Thiophenecarboxylic acid, 4-(isocyanatosulfonyl)-5-methyl-, methyl ester
CID 57957831
Methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CID 18434694
Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
Methyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434496
Ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
methyl (e)-3-(N-(3,7-dimethylocta-2,6-dien-1-yl)sulfamoyl)thiophene-2-carboxylate
CID 162639486
Methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
CID 102747797
Methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate
CID 102748176
Methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748588
4-Methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 102748737

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate (CID 102749254) is methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate is C=C(Cl)CNS(=O)(=O)c1c(C)csc1C(=O)OC.
What is the InChIKey of methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate?
The InChIKey is YLJBZJOWQWQYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c1-6-5-17-8(10(13)16-3)9(6)18(14,15)12-4-7(2)11/h5,12H,2,4H2,1,3H3.
What are the key properties of methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate?
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate has a molecular weight of 309.80 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102749254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).