2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide

C15H16N2O3S — CID 62367470

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3S/c16-21(18,19)15-8-4-2-6-13(15)17-12-9-10-20-14-7-3-1-5-11(12)14/h1-8,12,17H,9-10H2,(H2,16,18,19)
InChIKeyCLKHUVZKVVJILQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.27
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide (PubChem CID 62367470) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
PubChem CID62367470
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H16N2O3S/c16-21(18,19)15-8-4-2-6-13(15)17-12-9-10-20-14-7-3-1-5-11(12)14/h1-8,12,17H,9-10H2,(H2,16,18,19)
InChIKeyCLKHUVZKVVJILQ-UHFFFAOYSA-N
XLogP2.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide (CID 62367470) is 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide?
The InChIKey is CLKHUVZKVVJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-21(18,19)15-8-4-2-6-13(15)17-12-9-10-20-14-7-3-1-5-11(12)14/h1-8,12,17H,9-10H2,(H2,16,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 62367470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).