3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one

C21H19NO3S — CID 24145

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IUPAC3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
SMILESNc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2
InChIKeyVWEMSUCCUQSLME-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.06
Rot. Bonds6

About 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one

3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one (PubChem CID 24145) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
PubChem CID24145
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
SMILESNc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2
InChIKeyVWEMSUCCUQSLME-UHFFFAOYSA-N
XLogP4.06
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11501517
S-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11588699
S-[2-[4-(benzenesulfonamido)phenyl]-2-oxoethyl] ethanethioate
CID 11638839
S-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11667696
3-(2-Aminophenyl)sulfanyl-1-[4-(2-methylpropyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 2733067
4-[(2E)-2-[1-(benzenesulfonyl)-2-oxo-2-phenylethylidene]hydrazinyl]benzenesulfonamide
CID 10741895
2-(4-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl trithiocarbonate
CID 24894639
2-(3-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl trithiocarbonate
CID 24895190
4-[4-(3-Aminobenzoyl)phenyl]benzenesulfonamide
CID 156010217
4-[[(E)-2-(benzenesulfonyl)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
CID 164613033
N-[2-benzoyl-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166632126
4-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2438474

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one?
The IUPAC name of 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one (CID 24145) is 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one is Nc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one?
The InChIKey is VWEMSUCCUQSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2.
What are the key properties of 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one?
3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one has a molecular weight of 365.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 24145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).