2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide

C16H17NO5S2 — CID 9455909

IUPAC2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-24(21,22)15-7-5-4-6-14(15)16(18)17-12-8-10-13(11-9-12)23(2,19)20/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyLSYMOZRLTRWZDF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.14
Rot. Bonds5

About 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide

2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 9455909) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID9455909
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-24(21,22)15-7-5-4-6-14(15)16(18)17-12-8-10-13(11-9-12)23(2,19)20/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyLSYMOZRLTRWZDF-UHFFFAOYSA-N
XLogP2.14
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide (CID 9455909) is 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is LSYMOZRLTRWZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-3-24(21,22)15-7-5-4-6-14(15)16(18)17-12-8-10-13(11-9-12)23(2,19)20/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide?
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 9455909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).