N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide

C24H24FNO3S — CID 99952589

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)cc1
InChIInChI=1S/C24H24FNO3S/c1-24(2,3)20-13-11-17(12-14-20)23(27)18-8-6-9-21(15-18)26-30(28,29)16-19-7-4-5-10-22(19)25/h4-15,26H,16H2,1-3H3
InChIKeyJIZHUPXIMITMJW-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.30
Rot. Bonds6

About N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide

N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 99952589) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID99952589
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)cc1
InChIInChI=1S/C24H24FNO3S/c1-24(2,3)20-13-11-17(12-14-20)23(27)18-8-6-9-21(15-18)26-30(28,29)16-19-7-4-5-10-22(19)25/h4-15,26H,16H2,1-3H3
InChIKeyJIZHUPXIMITMJW-UHFFFAOYSA-N
XLogP5.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[3-[(2-fluorophenyl)methylsulfanyl]propyl]thiourea
CID 100698016
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-[5-[[3-(4-tert-butylbenzoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100577496
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-[(2-aminophenyl)methylsulfonylamino]benzamide
CID 62021088
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 37137902
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
(2S)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 92683156
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 92676130
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonylanilino)propanamide
CID 93487520

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide (CID 99952589) is N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide is CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is JIZHUPXIMITMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S/c1-24(2,3)20-13-11-17(12-14-20)23(27)18-8-6-9-21(15-18)26-30(28,29)16-19-7-4-5-10-22(19)25/h4-15,26H,16H2,1-3H3.
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 425.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 99952589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).