methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate

C18H15NO5S2 — CID 24563164

IUPACmethyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H15NO5S2/c1-23-18(20)17-16(11-12-25-17)26(21,22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyGXPUKXYXCWWTFC-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.13
Rot. Bonds6

About methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 24563164) has the molecular formula C18H15NO5S2 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID24563164
Molecular FormulaC18H15NO5S2
Molecular Weight389.45 g/mol
Exact Mass389.04
IUPAC Namemethyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H15NO5S2/c1-23-18(20)17-16(11-12-25-17)26(21,22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyGXPUKXYXCWWTFC-UHFFFAOYSA-N
XLogP4.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 75449190
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate (CID 24563164) is methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GXPUKXYXCWWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S2/c1-23-18(20)17-16(11-12-25-17)26(21,22)19-14-9-5-6-10-15(14)24-13-7-3-2-4-8-13/h2-12,19H,1H3.
What are the key properties of methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 24563164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).