methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate

C18H14ClNO5S2 — CID 5163836

IUPACmethyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO5S2/c1-24-18(21)17-16(10-11-26-17)27(22,23)20-13-4-8-15(9-5-13)25-14-6-2-12(19)3-7-14/h2-11,20H,1H3
InChIKeyQEXAELCINBEFAL-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.78
Rot. Bonds6

About methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 5163836) has the molecular formula C18H14ClNO5S2 and a molecular weight of 423.90 g/mol. Its IUPAC name is methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID5163836
Molecular FormulaC18H14ClNO5S2
Molecular Weight423.90 g/mol
Exact Mass423.00
IUPAC Namemethyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO5S2/c1-24-18(21)17-16(10-11-26-17)27(22,23)20-13-4-8-15(9-5-13)25-14-6-2-12(19)3-7-14/h2-11,20H,1H3
InChIKeyQEXAELCINBEFAL-UHFFFAOYSA-N
XLogP4.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 3783614
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 16956742
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate (CID 5163836) is methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is QEXAELCINBEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5S2/c1-24-18(21)17-16(10-11-26-17)27(22,23)20-13-4-8-15(9-5-13)25-14-6-2-12(19)3-7-14/h2-11,20H,1H3.
What are the key properties of methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 423.90 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 5163836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).