N-ethylsulfonyl-4-phenylbenzamide

C15H15NO3S — CID 140633529

IUPACN-ethylsulfonyl-4-phenylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-20(18,19)16-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,16,17)
InChIKeyPFNGCDHYROWGNP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.43
Rot. Bonds4

About N-ethylsulfonyl-4-phenylbenzamide

N-ethylsulfonyl-4-phenylbenzamide (PubChem CID 140633529) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-ethylsulfonyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-ethylsulfonyl-4-phenylbenzamide
PubChem CID140633529
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-ethylsulfonyl-4-phenylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-20(18,19)16-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,16,17)
InChIKeyPFNGCDHYROWGNP-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-ethylsulfonylbenzamide
CID 70247799
N-(ethylsulfamoyl)benzamide
CID 154250118
N-butyl-4-phenylbenzamide
CID 3637649
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
N-ethylsulfonyl-2-methylbenzamide
CID 18331687
ethane;4-phenylbenzoic acid;propane
CID 156791718
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-4-phenylbenzamide?
The IUPAC name of N-ethylsulfonyl-4-phenylbenzamide (CID 140633529) is N-ethylsulfonyl-4-phenylbenzamide.
What is the SMILES notation for N-ethylsulfonyl-4-phenylbenzamide?
The canonical SMILES for N-ethylsulfonyl-4-phenylbenzamide is CCS(=O)(=O)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethylsulfonyl-4-phenylbenzamide?
The InChIKey is PFNGCDHYROWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-20(18,19)16-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,16,17).
What are the key properties of N-ethylsulfonyl-4-phenylbenzamide?
N-ethylsulfonyl-4-phenylbenzamide has a molecular weight of 289.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-4-phenylbenzamide is sourced from PubChem (CID 140633529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).