methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

C19H16ClNO4S2 — CID 16832170

IUPACmethyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4S2/c1-12-6-8-13(9-7-12)16-11-26-17(19(22)25-2)18(16)27(23,24)21-15-5-3-4-14(20)10-15/h3-11,21H,1-2H3
InChIKeyTZOODUIBSRYWAQ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.96
Rot. Bonds5

About methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 16832170) has the molecular formula C19H16ClNO4S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID16832170
Molecular FormulaC19H16ClNO4S2
Molecular Weight421.93 g/mol
Exact Mass421.02
IUPAC Namemethyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4S2/c1-12-6-8-13(9-7-12)16-11-26-17(19(22)25-2)18(16)27(23,24)21-15-5-3-4-14(20)10-15/h3-11,21H,1-2H3
InChIKeyTZOODUIBSRYWAQ-UHFFFAOYSA-N
XLogP4.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-ethoxycarbonylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956736
methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 91886918
methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832177
methyl 3-[(4-ethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832133
methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 20944550
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 42584805
ethyl 3-[(4-ethoxyphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 50791867
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956730
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (CID 16832170) is methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is TZOODUIBSRYWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S2/c1-12-6-8-13(9-7-12)16-11-26-17(19(22)25-2)18(16)27(23,24)21-15-5-3-4-14(20)10-15/h3-11,21H,1-2H3.
What are the key properties of methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 421.93 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 16832170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).