1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide

C15H15NO3S — CID 4118590

IUPAC1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide
SMILESCCc1ccc(NC(=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-12-8-10-13(11-9-12)16-15(17)20(18,19)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,16,17)
InChIKeyIQOLZGLBTZXKKP-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.25
Rot. Bonds3

About 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide

1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide (PubChem CID 4118590) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide
PubChem CID4118590
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide
SMILESCCc1ccc(NC(=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-12-8-10-13(11-9-12)16-15(17)20(18,19)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,16,17)
InChIKeyIQOLZGLBTZXKKP-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
1-(4-ethylphenyl)sulfonyl-3-phenylthiourea
CID 955775
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide (CID 4118590) is 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide is CCc1ccc(NC(=O)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide?
The InChIKey is IQOLZGLBTZXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-12-8-10-13(11-9-12)16-15(17)20(18,19)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,16,17).
What are the key properties of 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide?
1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide has a molecular weight of 289.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide is sourced from PubChem (CID 4118590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).