N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C25H24N2O4S — CID 46539920

IUPACN-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H24N2O4S/c28-25(27-20-10-11-24-19(14-20)13-17-5-1-2-9-23(17)24)18-6-3-8-22(15-18)32(29,30)26-16-21-7-4-12-31-21/h1-3,5-6,8-11,14-15,21,26H,4,7,12-13,16H2,(H,27,28)
InChIKeyWBFRUEDTIPXNMT-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.97
Rot. Bonds6

About N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46539920) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46539920
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H24N2O4S/c28-25(27-20-10-11-24-19(14-20)13-17-5-1-2-9-23(17)24)18-6-3-8-22(15-18)32(29,30)26-16-21-7-4-12-31-21/h1-3,5-6,8-11,14-15,21,26H,4,7,12-13,16H2,(H,27,28)
InChIKeyWBFRUEDTIPXNMT-UHFFFAOYSA-N
XLogP3.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46539920) is N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WBFRUEDTIPXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c28-25(27-20-10-11-24-19(14-20)13-17-5-1-2-9-23(17)24)18-6-3-8-22(15-18)32(29,30)26-16-21-7-4-12-31-21/h1-3,5-6,8-11,14-15,21,26H,4,7,12-13,16H2,(H,27,28).
What are the key properties of N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 448.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46539920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).