2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide

C19H23NO4S — CID 108781694

IUPAC2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C19H23NO4S/c1-12-5-6-17-15(9-12)16(7-8-24-17)20-25(21,22)19-11-14(3)13(2)10-18(19)23-4/h5-6,9-11,16,20H,7-8H2,1-4H3
InChIKeyZXGNWXKTVGSZBU-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.42
Rot. Bonds4

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

2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (PubChem CID 108781694) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
PubChem CID108781694
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C19H23NO4S/c1-12-5-6-17-15(9-12)16(7-8-24-17)20-25(21,22)19-11-14(3)13(2)10-18(19)23-4/h5-6,9-11,16,20H,7-8H2,1-4H3
InChIKeyZXGNWXKTVGSZBU-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126770272
(E)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108757483
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781699
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (CID 108781694) is 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CCOc2ccc(C)cc21.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The InChIKey is ZXGNWXKTVGSZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-12-5-6-17-15(9-12)16(7-8-24-17)20-25(21,22)19-11-14(3)13(2)10-18(19)23-4/h5-6,9-11,16,20H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is sourced from PubChem (CID 108781694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).