N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide

C16H16N2O3S — CID 24882129

IUPACN-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-11-16(18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,17,19)
InChIKeyIRPLMLOFICVHKE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.39
Rot. Bonds4

About N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide

N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide (PubChem CID 24882129) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
PubChem CID24882129
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-11-16(18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,17,19)
InChIKeyIRPLMLOFICVHKE-UHFFFAOYSA-N
XLogP2.39
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
N-[4-[(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)sulfonyl]phenyl]acetamide
CID 110316388
N-[4-[[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]acetamide
CID 7386954
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
CID 152708985
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide (CID 24882129) is N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is IRPLMLOFICVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-11-16(18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide?
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 24882129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).