2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate

C26H29ClN2O4S — CID 2469428

IUPAC2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
SMILESCCN(CC)CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C26H29ClN2O4S/c1-3-28(4-2)17-18-33-26(30)22-13-10-14-23(19-22)34(31,32)29(20-21-11-6-5-7-12-21)25-16-9-8-15-24(25)27/h5-16,19H,3-4,17-18,20H2,1-2H3
InChIKeyHRIXJCRZLCDDNC-UHFFFAOYSA-N
MW501.05 g/mol
LogP5.23
Rot. Bonds11

About 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate

2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate (PubChem CID 2469428) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
PubChem CID2469428
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
SMILESCCN(CC)CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C26H29ClN2O4S/c1-3-28(4-2)17-18-33-26(30)22-13-10-14-23(19-22)34(31,32)29(20-21-11-6-5-7-12-21)25-16-9-8-15-24(25)27/h5-16,19H,3-4,17-18,20H2,1-2H3
InChIKeyHRIXJCRZLCDDNC-UHFFFAOYSA-N
XLogP5.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
CID 30752481
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
[2-(N-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2419101
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 2704667
[2-(ethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610488

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate (CID 2469428) is 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate is CCN(CC)CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1.
What is the InChIKey of 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is HRIXJCRZLCDDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-3-28(4-2)17-18-33-26(30)22-13-10-14-23(19-22)34(31,32)29(20-21-11-6-5-7-12-21)25-16-9-8-15-24(25)27/h5-16,19H,3-4,17-18,20H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate?
2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 501.05 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2469428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).