methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate

C16H15Cl2NO4S — CID 31761098

IUPACmethyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-10(14-7-6-12(17)9-15(14)18)19-24(21,22)13-5-3-4-11(8-13)16(20)23-2/h3-10,19H,1-2H3/t10-/m1/s1
InChIKeyDLBNWYSOCNIPID-SNVBAGLBSA-N
MW388.27 g/mol
LogP3.82
Rot. Bonds5

About methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate

methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate (PubChem CID 31761098) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
PubChem CID31761098
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Namemethyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-10(14-7-6-12(17)9-15(14)18)19-24(21,22)13-5-3-4-11(8-13)16(20)23-2/h3-10,19H,1-2H3/t10-/m1/s1
InChIKeyDLBNWYSOCNIPID-SNVBAGLBSA-N
XLogP3.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 7510137
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
methyl 3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]sulfamoyl]benzoate
CID 94612899
methyl 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]benzoate
CID 51335512
(2-chlorophenyl) 3-(propan-2-ylsulfamoyl)benzoate
CID 26698526
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2605664
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate (CID 31761098) is methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate?
The InChIKey is DLBNWYSOCNIPID-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10(14-7-6-12(17)9-15(14)18)19-24(21,22)13-5-3-4-11(8-13)16(20)23-2/h3-10,19H,1-2H3/t10-/m1/s1.
What are the key properties of methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate?
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate has a molecular weight of 388.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 31761098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).