2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide

C19H19NO4S — CID 60578994

IUPAC2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c1C
InChIInChI=1S/C19H19NO4S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)20-16-6-7-17-15(10-16)5-8-18(21)24-17/h5-10,20H,1-4H3
InChIKeyJBSJHOUKWAZVML-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.83
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide (PubChem CID 60578994) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
PubChem CID60578994
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c1C
InChIInChI=1S/C19H19NO4S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)20-16-6-7-17-15(10-16)5-8-18(21)24-17/h5-10,20H,1-4H3
InChIKeyJBSJHOUKWAZVML-UHFFFAOYSA-N
XLogP3.83
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
2-methyl-5-nitro-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 55865536
2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide
CID 166397243
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
CID 156580163
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 166397290
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382
4-bromo-N-(2-oxochromen-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 166194070
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide (CID 60578994) is 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The InChIKey is JBSJHOUKWAZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)20-16-6-7-17-15(10-16)5-8-18(21)24-17/h5-10,20H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 60578994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).