N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide

C18H21NO4S — CID 53210049

IUPACN-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)CC(NS(=O)(=O)c1cc(C)cc(C)c1)CO2
InChIInChI=1S/C18H21NO4S/c1-12-6-13(2)8-17(7-12)24(20,21)19-15-9-14-10-16(22-3)4-5-18(14)23-11-15/h4-8,10,15,19H,9,11H2,1-3H3
InChIKeyMCRYWNLYWREINX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.59
Rot. Bonds4

About N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide

N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide (PubChem CID 53210049) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
PubChem CID53210049
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)CC(NS(=O)(=O)c1cc(C)cc(C)c1)CO2
InChIInChI=1S/C18H21NO4S/c1-12-6-13(2)8-17(7-12)24(20,21)19-15-9-14-10-16(22-3)4-5-18(14)23-11-15/h4-8,10,15,19H,9,11H2,1-3H3
InChIKeyMCRYWNLYWREINX-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide (CID 53210049) is N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide is COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(C)cc(C)c1)CO2.
What is the InChIKey of N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is MCRYWNLYWREINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-6-13(2)8-17(7-12)24(20,21)19-15-9-14-10-16(22-3)4-5-18(14)23-11-15/h4-8,10,15,19H,9,11H2,1-3H3.
What are the key properties of N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide?
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 53210049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).