5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide

C19H22BrNO5S — CID 133178491

IUPAC5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1cc(Br)ccc1OC)CC(C)(C)O2
InChIInChI=1S/C19H22BrNO5S/c1-19(2)11-15(14-10-13(24-3)6-8-16(14)26-19)21-27(22,23)18-9-12(20)5-7-17(18)25-4/h5-10,15,21H,11H2,1-4H3
InChIKeyQOBLDBAYEASEJB-UHFFFAOYSA-N
MW456.36 g/mol
LogP4.05
Rot. Bonds5

About 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide

5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide (PubChem CID 133178491) has the molecular formula C19H22BrNO5S and a molecular weight of 456.36 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
PubChem CID133178491
Molecular FormulaC19H22BrNO5S
Molecular Weight456.36 g/mol
Exact Mass455.04
IUPAC Name5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1cc(Br)ccc1OC)CC(C)(C)O2
InChIInChI=1S/C19H22BrNO5S/c1-19(2)11-15(14-10-13(24-3)6-8-16(14)26-19)21-27(22,23)18-9-12(20)5-7-17(18)25-4/h5-10,15,21H,11H2,1-4H3
InChIKeyQOBLDBAYEASEJB-UHFFFAOYSA-N
XLogP4.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzenesulfonamide
CID 100584043
6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
CID 133161889
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895735
2-(3-bromophenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701277
N-[5-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100754686
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 132668925
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133216010
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720962
1-(4-bromophenyl)-3-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720746
N-[5-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133162962
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide (CID 133178491) is 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide is COc1ccc2c(c1)C(NS(=O)(=O)c1cc(Br)ccc1OC)CC(C)(C)O2.
What is the InChIKey of 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide?
The InChIKey is QOBLDBAYEASEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO5S/c1-19(2)11-15(14-10-13(24-3)6-8-16(14)26-19)21-27(22,23)18-9-12(20)5-7-17(18)25-4/h5-10,15,21H,11H2,1-4H3.
What are the key properties of 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide has a molecular weight of 456.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide is sourced from PubChem (CID 133178491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).