N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

C16H17NO4S — CID 53209975

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H17NO4S/c1-20-15-9-5-6-12-10-13(11-21-16(12)15)17-22(18,19)14-7-3-2-4-8-14/h2-9,13,17H,10-11H2,1H3
InChIKeyFKHVPOUGOJXFIT-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.98
Rot. Bonds4

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (PubChem CID 53209975) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
PubChem CID53209975
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H17NO4S/c1-20-15-9-5-6-12-10-13(11-21-16(12)15)17-22(18,19)14-7-3-2-4-8-14/h2-9,13,17H,10-11H2,1H3
InChIKeyFKHVPOUGOJXFIT-UHFFFAOYSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (CID 53209975) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is COc1cccc2c1OCC(NS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The InChIKey is FKHVPOUGOJXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-15-9-5-6-12-10-13(11-21-16(12)15)17-22(18,19)14-7-3-2-4-8-14/h2-9,13,17H,10-11H2,1H3.
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 53209975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).