[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate

C17H19NO4S — CID 3119015

IUPAC[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate
SMILESCC(=O)OC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(20,21)18-12-17(22-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyORNFKLHTLHTOKH-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds6

About [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate

[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate (PubChem CID 3119015) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate
PubChem CID3119015
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate
SMILESCC(=O)OC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(20,21)18-12-17(22-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyORNFKLHTLHTOKH-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate?
The IUPAC name of [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate (CID 3119015) is [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate.
What is the SMILES notation for [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate?
The canonical SMILES for [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate is CC(=O)OC(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate?
The InChIKey is ORNFKLHTLHTOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(20,21)18-12-17(22-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3.
What are the key properties of [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate?
[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate has a molecular weight of 333.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl] acetate is sourced from PubChem (CID 3119015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).