N-(4-ethylphenyl)-2-ethylsulfonylbenzamide

C17H19NO3S — CID 16604948

IUPACN-(4-ethylphenyl)-2-ethylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1
InChIInChI=1S/C17H19NO3S/c1-3-13-9-11-14(12-10-13)18-17(19)15-7-5-6-8-16(15)22(20,21)4-2/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyJTDBVJAQKQQQMF-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.29
Rot. Bonds5

About N-(4-ethylphenyl)-2-ethylsulfonylbenzamide

N-(4-ethylphenyl)-2-ethylsulfonylbenzamide (PubChem CID 16604948) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-ethylsulfonylbenzamide
PubChem CID16604948
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-ethylphenyl)-2-ethylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1
InChIInChI=1S/C17H19NO3S/c1-3-13-9-11-14(12-10-13)18-17(19)15-7-5-6-8-16(15)22(20,21)4-2/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyJTDBVJAQKQQQMF-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
CID 51211880
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
CID 6457202
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(4-ethylphenyl)benzamide
CID 774063
N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
CID 38154380
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-ethylsulfonylbenzamide (CID 16604948) is N-(4-ethylphenyl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-ethylsulfonylbenzamide is CCc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-ethylsulfonylbenzamide?
The InChIKey is JTDBVJAQKQQQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-13-9-11-14(12-10-13)18-17(19)15-7-5-6-8-16(15)22(20,21)4-2/h5-12H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-2-ethylsulfonylbenzamide?
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 16604948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).