2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide

C17H19ClN2O3S — CID 1079123

IUPAC2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyLOEDJZKYTWASQX-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide

2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide (PubChem CID 1079123) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide
PubChem CID1079123
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyLOEDJZKYTWASQX-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide (CID 1079123) is 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide?
The InChIKey is LOEDJZKYTWASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-20(4-2)24(22,23)14-10-11-16(18)15(12-14)17(21)19-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide?
2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-phenylbenzamide is sourced from PubChem (CID 1079123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).