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

C16H17NO3S — CID 17414707

IUPAC2-ethylsulfonyl-N-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H17NO3S/c1-3-21(19,20)15-7-5-4-6-14(15)16(18)17-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeySPOGPRHNAHJTDY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.04
Rot. Bonds4

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

2-ethylsulfonyl-N-(4-methylphenyl)benzamide (PubChem CID 17414707) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(4-methylphenyl)benzamide
PubChem CID17414707
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-ethylsulfonyl-N-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H17NO3S/c1-3-21(19,20)15-7-5-4-6-14(15)16(18)17-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeySPOGPRHNAHJTDY-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-[[4-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]benzenesulfonic acid
CID 4144466
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
CID 51211880
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(4-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126183020

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(4-methylphenyl)benzamide (CID 17414707) is 2-ethylsulfonyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(4-methylphenyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-(4-methylphenyl)benzamide?
The InChIKey is SPOGPRHNAHJTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-21(19,20)15-7-5-4-6-14(15)16(18)17-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethylsulfonyl-N-(4-methylphenyl)benzamide?
2-ethylsulfonyl-N-(4-methylphenyl)benzamide has a molecular weight of 303.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 17414707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).