N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide

C15H13NO4S — CID 167635607

IUPACN-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
SMILESCc1ccc2c(c1)c(=O)oc1cc(NS(C)(=O)=O)ccc12
InChIInChI=1S/C15H13NO4S/c1-9-3-5-11-12-6-4-10(16-21(2,18)19)8-14(12)20-15(17)13(11)7-9/h3-8,16H,1-2H3
InChIKeyVYEOANFDKGBAFZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.63
Rot. Bonds2

About N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide

N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide (PubChem CID 167635607) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
PubChem CID167635607
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
SMILESCc1ccc2c(c1)c(=O)oc1cc(NS(C)(=O)=O)ccc12
InChIInChI=1S/C15H13NO4S/c1-9-3-5-11-12-6-4-10(16-21(2,18)19)8-14(12)20-15(17)13(11)7-9/h3-8,16H,1-2H3
InChIKeyVYEOANFDKGBAFZ-UHFFFAOYSA-N
XLogP2.63
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide
CID 167542121
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
CID 167635603
8-methyl-3-(methylamino)isochromeno[4,3-c]pyridin-6-one
CID 167663656
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
3-(2-methylanilino)benzo[c]chromen-6-one
CID 134233643
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
bis(4-methylphenyl) 6-oxobenzo[c]chromene-3,8-disulfonate
CID 71945472
3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
CID 141358200
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
CID 167621734
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 145049959

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide?
The IUPAC name of N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide (CID 167635607) is N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide.
What is the SMILES notation for N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide?
The canonical SMILES for N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide is Cc1ccc2c(c1)c(=O)oc1cc(NS(C)(=O)=O)ccc12.
What is the InChIKey of N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide?
The InChIKey is VYEOANFDKGBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-9-3-5-11-12-6-4-10(16-21(2,18)19)8-14(12)20-15(17)13(11)7-9/h3-8,16H,1-2H3.
What are the key properties of N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide?
N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide is sourced from PubChem (CID 167635607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).