N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide

C19H21NO4S — CID 108783245

IUPACN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1
InChIInChI=1S/C19H21NO4S/c1-12-5-8-18(13(2)9-12)25(22,23)20-14-6-7-17-15(10-14)16(21)11-19(3,4)24-17/h5-10,20H,11H2,1-4H3
InChIKeyLGKWBOUZCNCWQX-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.85
Rot. Bonds3

About N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 108783245) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID108783245
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1
InChIInChI=1S/C19H21NO4S/c1-12-5-8-18(13(2)9-12)25(22,23)20-14-6-7-17-15(10-14)16(21)11-19(3,4)24-17/h5-10,20H,11H2,1-4H3
InChIKeyLGKWBOUZCNCWQX-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2,4-dimethylbenzenesulfonamide
CID 40958696
4-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-3-nitrobenzenesulfonamide
CID 108783241
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 110637679
(E)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108765411
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide
CID 108765439
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide (CID 108783245) is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is LGKWBOUZCNCWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-12-5-8-18(13(2)9-12)25(22,23)20-14-6-7-17-15(10-14)16(21)11-19(3,4)24-17/h5-10,20H,11H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide?
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108783245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).