N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide

C14H19NO4S — CID 143014447

IUPACN-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)CC[C@H](C(C)=O)O2
InChIInChI=1S/C14H19NO4S/c1-3-8-20(17,18)15-12-5-7-14-11(9-12)4-6-13(19-14)10(2)16/h5,7,9,13,15H,3-4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyDJJKPKRUWMHLEI-CYBMUJFWSA-N
MW297.38 g/mol
LogP2.12
Rot. Bonds5

About N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide

N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide (PubChem CID 143014447) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide
PubChem CID143014447
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)CC[C@H](C(C)=O)O2
InChIInChI=1S/C14H19NO4S/c1-3-8-20(17,18)15-12-5-7-14-11(9-12)4-6-13(19-14)10(2)16/h5,7,9,13,15H,3-4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyDJJKPKRUWMHLEI-CYBMUJFWSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide (CID 143014447) is N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)CC[C@H](C(C)=O)O2.
What is the InChIKey of N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide?
The InChIKey is DJJKPKRUWMHLEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-8-20(17,18)15-12-5-7-14-11(9-12)4-6-13(19-14)10(2)16/h5,7,9,13,15H,3-4,6,8H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide?
N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-acetyl-3,4-dihydro-2H-chromen-6-yl]propane-1-sulfonamide is sourced from PubChem (CID 143014447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).