N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide

C19H19NO4S — CID 11843154

IUPACN-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3c(C)c(C)c(=O)oc3c2)cc1
InChIInChI=1S/C19H19NO4S/c1-12-5-8-16(9-6-12)25(22,23)20(4)15-7-10-17-13(2)14(3)19(21)24-18(17)11-15/h5-11H,1-4H3
InChIKeyACYMPVHSUJKNNR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.54
Rot. Bonds3

About N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide

N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 11843154) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID11843154
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3c(C)c(C)c(=O)oc3c2)cc1
InChIInChI=1S/C19H19NO4S/c1-12-5-8-16(9-6-12)25(22,23)20(4)15-7-10-17-13(2)14(3)19(21)24-18(17)11-15/h5-11H,1-4H3
InChIKeyACYMPVHSUJKNNR-UHFFFAOYSA-N
XLogP3.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide (CID 11843154) is N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3c(C)c(C)c(=O)oc3c2)cc1.
What is the InChIKey of N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is ACYMPVHSUJKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-5-8-16(9-6-12)25(22,23)20(4)15-7-10-17-13(2)14(3)19(21)24-18(17)11-15/h5-11H,1-4H3.
What are the key properties of N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide?
N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxochromen-7-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 11843154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).