1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate

C19H22ClNO4S — CID 16521782

IUPAC1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)c2ccccc2)c1
InChIInChI=1S/C19H22ClNO4S/c1-4-21(5-2)26(23,24)16-11-12-18(20)17(13-16)19(22)25-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3
InChIKeyFAAMBODRPBLGPO-UHFFFAOYSA-N
MW395.91 g/mol
LogP4.29
Rot. Bonds7

About 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate

1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 16521782) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID16521782
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)c2ccccc2)c1
InChIInChI=1S/C19H22ClNO4S/c1-4-21(5-2)26(23,24)16-11-12-18(20)17(13-16)19(22)25-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3
InChIKeyFAAMBODRPBLGPO-UHFFFAOYSA-N
XLogP4.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 55390184
[(1S)-1-cyanoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510116
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
[(1R)-1-(4-fluorophenyl)ethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7252993
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 4542283
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 46629476
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
(4-chlorophenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 1330481
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 51530614

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate (CID 16521782) is 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)c2ccccc2)c1.
What is the InChIKey of 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is FAAMBODRPBLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-4-21(5-2)26(23,24)16-11-12-18(20)17(13-16)19(22)25-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3.
What are the key properties of 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate?
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 395.91 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 16521782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).