N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide

C16H17NO3S — CID 19898930

IUPACN-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(C2CO2)cc1
InChIInChI=1S/C16H17NO3S/c18-21(19,11-10-13-4-2-1-3-5-13)17-15-8-6-14(7-9-15)16-12-20-16/h1-9,16-17H,10-12H2
InChIKeyVHYMKWZRKBMMDE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide

N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 19898930) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID19898930
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(C2CO2)cc1
InChIInChI=1S/C16H17NO3S/c18-21(19,11-10-13-4-2-1-3-5-13)17-15-8-6-14(7-9-15)16-12-20-16/h1-9,16-17H,10-12H2
InChIKeyVHYMKWZRKBMMDE-UHFFFAOYSA-N
XLogP2.74
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
CID 112989587
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
CID 90595556

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide (CID 19898930) is N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(C2CO2)cc1.
What is the InChIKey of N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is VHYMKWZRKBMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,11-10-13-4-2-1-3-5-13)17-15-8-6-14(7-9-15)16-12-20-16/h1-9,16-17H,10-12H2.
What are the key properties of N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide?
N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 19898930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).