methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate

C16H17ClN2O5S2 — CID 24602965

IUPACmethyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C16H17ClN2O5S2/c1-23-16(20)15-13(5-10-25-15)26(21,22)18-12-4-2-3-11(17)14(12)19-6-8-24-9-7-19/h2-5,10,18H,6-9H2,1H3
InChIKeyVDODIWATYWWRTF-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.83
Rot. Bonds5

About methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 24602965) has the molecular formula C16H17ClN2O5S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID24602965
Molecular FormulaC16H17ClN2O5S2
Molecular Weight416.91 g/mol
Exact Mass416.03
IUPAC Namemethyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C16H17ClN2O5S2/c1-23-16(20)15-13(5-10-25-15)26(21,22)18-12-4-2-3-11(17)14(12)19-6-8-24-9-7-19/h2-5,10,18H,6-9H2,1H3
InChIKeyVDODIWATYWWRTF-UHFFFAOYSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
methyl 3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122340909
N-(3-chloro-2-morpholin-4-ylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602966
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55663293
methyl 3-[[2-[2-[(2-chlorophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
CID 3681518
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24614283
dimethyl (E)-2-(3-chloro-2-morpholin-4-ylanilino)but-2-enedioate
CID 168568994

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 24602965) is methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is VDODIWATYWWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S2/c1-23-16(20)15-13(5-10-25-15)26(21,22)18-12-4-2-3-11(17)14(12)19-6-8-24-9-7-19/h2-5,10,18H,6-9H2,1H3.
What are the key properties of methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 416.91 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 24602965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).