N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide

C15H15NO3S — CID 47007914

IUPACN-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-20(18,12-6-2-1-3-7-12)16-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11H2
InChIKeyNIEOIXOYXXPYKS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.49
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (PubChem CID 47007914) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
PubChem CID47007914
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-20(18,12-6-2-1-3-7-12)16-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11H2
InChIKeyNIEOIXOYXXPYKS-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (CID 47007914) is N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOc2ccccc21)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The InChIKey is NIEOIXOYXXPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-20(18,12-6-2-1-3-7-12)16-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14,16H,10-11H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is sourced from PubChem (CID 47007914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).