4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide

C20H16N2O3S — CID 169372936

IUPAC4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c(=O)c4ccccc4[nH]c23)cc1
InChIInChI=1S/C20H16N2O3S/c1-13-9-11-14(12-10-13)26(24,25)22-18-8-4-6-16-19(18)21-17-7-3-2-5-15(17)20(16)23/h2-12,22H,1H3,(H,21,23)
InChIKeyDHOJMNSOUGWSSY-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.79
Rot. Bonds3

About 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide

4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide (PubChem CID 169372936) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
PubChem CID169372936
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c(=O)c4ccccc4[nH]c23)cc1
InChIInChI=1S/C20H16N2O3S/c1-13-9-11-14(12-10-13)26(24,25)22-18-8-4-6-16-19(18)21-17-7-3-2-5-15(17)20(16)23/h2-12,22H,1H3,(H,21,23)
InChIKeyDHOJMNSOUGWSSY-UHFFFAOYSA-N
XLogP3.79
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
ethyl 2-[[1-[(4-methylphenyl)sulfonylamino]-9H-carbazol-3-yl]sulfanyl]acetate
CID 155526589
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-4-methylbenzenesulfonamide
CID 169371037
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide (CID 169372936) is 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3c(=O)c4ccccc4[nH]c23)cc1.
What is the InChIKey of 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide?
The InChIKey is DHOJMNSOUGWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-13-9-11-14(12-10-13)26(24,25)22-18-8-4-6-16-19(18)21-17-7-3-2-5-15(17)20(16)23/h2-12,22H,1H3,(H,21,23).
What are the key properties of 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide?
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 169372936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).