dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate

C16H13ClFNO6S — CID 4794038

IUPACdimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H13ClFNO6S/c1-24-15(20)9-3-5-11(16(21)25-2)14(7-9)26(22,23)19-13-8-10(17)4-6-12(13)18/h3-8,19H,1-2H3
InChIKeyNAMCCHUYBDDSMT-UHFFFAOYSA-N
MW401.80 g/mol
LogP2.85
Rot. Bonds5

About dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 4794038) has the molecular formula C16H13ClFNO6S and a molecular weight of 401.80 g/mol. Its IUPAC name is dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
PubChem CID4794038
Molecular FormulaC16H13ClFNO6S
Molecular Weight401.80 g/mol
Exact Mass401.01
IUPAC Namedimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H13ClFNO6S/c1-24-15(20)9-3-5-11(16(21)25-2)14(7-9)26(22,23)19-13-8-10(17)4-6-12(13)18/h3-8,19H,1-2H3
InChIKeyNAMCCHUYBDDSMT-UHFFFAOYSA-N
XLogP2.85
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
dimethyl 2-[[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24502350
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 4-chloro-2-[(5-chloro-2-hydroxy-3-nitrophenyl)sulfamoyl]benzoate
CID 155598000
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate (CID 4794038) is dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is NAMCCHUYBDDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO6S/c1-24-15(20)9-3-5-11(16(21)25-2)14(7-9)26(22,23)19-13-8-10(17)4-6-12(13)18/h3-8,19H,1-2H3.
What are the key properties of dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 401.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 4794038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).