2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide

C24H21FN2O6S — CID 2385539

IUPAC2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)oc1ccccc12
InChIInChI=1S/C24H21FN2O6S/c1-31-23-13-17-16-4-2-3-5-21(16)33-22(17)14-20(23)26-24(28)18-12-15(6-7-19(18)25)34(29,30)27-8-10-32-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,26,28)
InChIKeyRVBOVCXBNLHLKJ-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.01
Rot. Bonds5

About 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2385539) has the molecular formula C24H21FN2O6S and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2385539
Molecular FormulaC24H21FN2O6S
Molecular Weight484.51 g/mol
Exact Mass484.11
IUPAC Name2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)oc1ccccc12
InChIInChI=1S/C24H21FN2O6S/c1-31-23-13-17-16-4-2-3-5-21(16)33-22(17)14-20(23)26-24(28)18-12-15(6-7-19(18)25)34(29,30)27-8-10-32-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,26,28)
InChIKeyRVBOVCXBNLHLKJ-UHFFFAOYSA-N
XLogP4.01
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671668
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 24659342
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4058854
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 2385539) is 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide is COc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)oc1ccccc12.
What is the InChIKey of 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RVBOVCXBNLHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O6S/c1-31-23-13-17-16-4-2-3-5-21(16)33-22(17)14-20(23)26-24(28)18-12-15(6-7-19(18)25)34(29,30)27-8-10-32-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,26,28).
What are the key properties of 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 484.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2385539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).