N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide

C15H13NO4S — CID 69057035

IUPACN-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide
SMILESO=C1CCOc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C15H13NO4S/c17-14-8-9-20-15-7-6-11(10-13(14)15)16-21(18,19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2
InChIKeyRFQHUNRACWWJLA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.45
Rot. Bonds3

About N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide

N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide (PubChem CID 69057035) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide
PubChem CID69057035
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide
SMILESO=C1CCOc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C15H13NO4S/c17-14-8-9-20-15-7-6-11(10-13(14)15)16-21(18,19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2
InChIKeyRFQHUNRACWWJLA-UHFFFAOYSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-phenylbenzenesulfonamide
CID 40889470
3-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide
CID 40889445
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-nitrobenzenesulfonamide
CID 44964443
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4783634
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
6-(4-methoxyanilino)-2,3-dihydrochromen-4-one
CID 164680994
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-chloro-4-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide
CID 40889462
6-iodo-2,3-dihydrochromen-4-one
CID 3580262

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide?
The IUPAC name of N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide (CID 69057035) is N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide?
The canonical SMILES for N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide is O=C1CCOc2ccc(NS(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide?
The InChIKey is RFQHUNRACWWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-14-8-9-20-15-7-6-11(10-13(14)15)16-21(18,19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2.
What are the key properties of N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide?
N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,3-dihydrochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 69057035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).