5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide

C21H22FN3O4S — CID 167935882

IUPAC5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCS(=O)(=O)NC1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1
InChIInChI=1S/C21H22FN3O4S/c1-30(28,29)25-13-10-8-12(9-11-13)23-21(27)16-6-2-4-14-18(16)24-19-15(20(14)26)5-3-7-17(19)22/h2-7,12-13,25H,8-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyBNBDEPYHNYVYQM-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.41
Rot. Bonds4

About 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide

5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 167935882) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID167935882
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCS(=O)(=O)NC1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1
InChIInChI=1S/C21H22FN3O4S/c1-30(28,29)25-13-10-8-12(9-11-13)23-21(27)16-6-2-4-14-18(16)24-19-15(20(14)26)5-3-7-17(19)22/h2-7,12-13,25H,8-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyBNBDEPYHNYVYQM-UHFFFAOYSA-N
XLogP2.41
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide with MolForge

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Related Compounds

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2,3-difluoro-N-(4-methylcycloheptyl)benzamide
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N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
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2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802704
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
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CID 72548098

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide (CID 167935882) is 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide is CS(=O)(=O)NC1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1.
What is the InChIKey of 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is BNBDEPYHNYVYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-30(28,29)25-13-10-8-12(9-11-13)23-21(27)16-6-2-4-14-18(16)24-19-15(20(14)26)5-3-7-17(19)22/h2-7,12-13,25H,8-11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide?
5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 167935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).