methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate

C14H10Cl2FNO4S — CID 95036267

IUPACmethyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-5-11(17)13(6-8)23(20,21)18-12-7-9(15)3-4-10(12)16/h2-7,18H,1H3
InChIKeyNATPRCYSILACLG-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.72
Rot. Bonds4

About methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate

methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate (PubChem CID 95036267) has the molecular formula C14H10Cl2FNO4S and a molecular weight of 378.21 g/mol. Its IUPAC name is methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
PubChem CID95036267
Molecular FormulaC14H10Cl2FNO4S
Molecular Weight378.21 g/mol
Exact Mass376.97
IUPAC Namemethyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-5-11(17)13(6-8)23(20,21)18-12-7-9(15)3-4-10(12)16/h2-7,18H,1H3
InChIKeyNATPRCYSILACLG-UHFFFAOYSA-N
XLogP3.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 4794038
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
CID 21236808
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
CID 2481604
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 40956085
[2-(3-chlorophenyl)-2-oxoethyl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25039534
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-fluorobenzoate
CID 47946553
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
methyl 4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoate
CID 47946297
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate?
The IUPAC name of methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate (CID 95036267) is methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate is COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate?
The InChIKey is NATPRCYSILACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-5-11(17)13(6-8)23(20,21)18-12-7-9(15)3-4-10(12)16/h2-7,18H,1H3.
What are the key properties of methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate?
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate has a molecular weight of 378.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate is sourced from PubChem (CID 95036267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).