3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H17NO3S — CID 62918396

IUPAC3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-17-16-13-9-5-6-10-14(13)20-11-15(16)21(18,19)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3
InChIKeyIJZFBGBPYQYSKO-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.18
Rot. Bonds3

About 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 62918396) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID62918396
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-17-16-13-9-5-6-10-14(13)20-11-15(16)21(18,19)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3
InChIKeyIJZFBGBPYQYSKO-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 62918396) is 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IJZFBGBPYQYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-17-16-13-9-5-6-10-14(13)20-11-15(16)21(18,19)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 62918396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).