N-(9-oxoxanthen-2-yl)methanesulfonamide

C14H11NO4S — CID 2825822

IUPACN-(9-oxoxanthen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)19-13/h2-8,15H,1H3
InChIKeyNVQWZRWUAZJAPT-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.32
Rot. Bonds2

About N-(9-oxoxanthen-2-yl)methanesulfonamide

N-(9-oxoxanthen-2-yl)methanesulfonamide (PubChem CID 2825822) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(9-oxoxanthen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(9-oxoxanthen-2-yl)methanesulfonamide
PubChem CID2825822
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC NameN-(9-oxoxanthen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)19-13/h2-8,15H,1H3
InChIKeyNVQWZRWUAZJAPT-UHFFFAOYSA-N
XLogP2.32
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(9-oxoxanthen-2-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-3,4-benzocoumarin
CID 347218
2,7-diamino-9H-xanthen-9-one
CID 2770072
6-Aminoflavone
CID 16217320
6-amino-4H-chromen-4-one
CID 19438826
3-(anilinothio)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
CID 12005209
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
6-Nitro-2-phenylchromen-4-one
CID 15731470
N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 21465472
4'-Aminoflavone
CID 177048
2,7-Dinitro-9H-xanthen-9-one
CID 233726
N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 49860830
N-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 49860832

Frequently Asked Questions

What is the IUPAC name of N-(9-oxoxanthen-2-yl)methanesulfonamide?
The IUPAC name of N-(9-oxoxanthen-2-yl)methanesulfonamide (CID 2825822) is N-(9-oxoxanthen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(9-oxoxanthen-2-yl)methanesulfonamide?
The canonical SMILES for N-(9-oxoxanthen-2-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2oc3ccccc3c(=O)c2c1.
What is the InChIKey of N-(9-oxoxanthen-2-yl)methanesulfonamide?
The InChIKey is NVQWZRWUAZJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)19-13/h2-8,15H,1H3.
What are the key properties of N-(9-oxoxanthen-2-yl)methanesulfonamide?
N-(9-oxoxanthen-2-yl)methanesulfonamide has a molecular weight of 289.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxoxanthen-2-yl)methanesulfonamide is sourced from PubChem (CID 2825822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).