7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene

C12H14N2O4S — CID 110734309

IUPAC7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C12H14N2O4S/c1-8-6-12(15)18-11-7-9(4-5-10(8)11)13-19(16,17)14(2)3/h4-7,13H,1-3H3
InChIKeyDEKDLDYEBSXWFF-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.32
Rot. Bonds3

About 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene

7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene (PubChem CID 110734309) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
PubChem CID110734309
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)N(C)C)ccc12
InChIInChI=1S/C12H14N2O4S/c1-8-6-12(15)18-11-7-9(4-5-10(8)11)13-19(16,17)14(2)3/h4-7,13H,1-3H3
InChIKeyDEKDLDYEBSXWFF-UHFFFAOYSA-N
XLogP1.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.32
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-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
CID 3314791
7-anilino-4-methylchromen-2-one
CID 804341
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
1-(4-methyl-2-oxochromen-7-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680130
4-methyl-7-(pentylamino)chromen-2-one
CID 88996425
7-(4-fluorobutylamino)-4-methylchromen-2-one
CID 166193275
4-methyl-7-nitrosochromen-2-one
CID 122373464
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene?
The IUPAC name of 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene (CID 110734309) is 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene?
The canonical SMILES for 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene is Cc1cc(=O)oc2cc(NS(=O)(=O)N(C)C)ccc12.
What is the InChIKey of 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene?
The InChIKey is DEKDLDYEBSXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-6-12(15)18-11-7-9(4-5-10(8)11)13-19(16,17)14(2)3/h4-7,13H,1-3H3.
What are the key properties of 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene?
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene has a molecular weight of 282.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene is sourced from PubChem (CID 110734309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).