3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide

C20H15NO3S — CID 3539352

IUPAC3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C20H15NO3S/c1-13-6-4-7-14(12-13)25(23,24)21-18-11-5-10-16-15-8-2-3-9-17(15)20(22)19(16)18/h2-12,21H,1H3
InChIKeyDJIDXEXAFYBXBK-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.01
Rot. Bonds3

About 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide

3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide (PubChem CID 3539352) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide
PubChem CID3539352
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C20H15NO3S/c1-13-6-4-7-14(12-13)25(23,24)21-18-11-5-10-16-15-8-2-3-9-17(15)20(22)19(16)18/h2-12,21H,1H3
InChIKeyDJIDXEXAFYBXBK-UHFFFAOYSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide (CID 3539352) is 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1.
What is the InChIKey of 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide?
The InChIKey is DJIDXEXAFYBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-13-6-4-7-14(12-13)25(23,24)21-18-11-5-10-16-15-8-2-3-9-17(15)20(22)19(16)18/h2-12,21H,1H3.
What are the key properties of 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide?
3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(9-oxofluoren-1-yl)benzenesulfonamide is sourced from PubChem (CID 3539352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).