N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide

C32H33NO2S — CID 15709124

IUPACN-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC2c3ccccc3-c3ccccc32)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C32H33NO2S/c1-23-18-20-25(21-19-23)36(34,35)33-32(31(2,3)4,24-12-6-5-7-13-24)22-30-28-16-10-8-14-26(28)27-15-9-11-17-29(27)30/h5-21,30,33H,22H2,1-4H3
InChIKeyIBXMFANPOVJUNA-UHFFFAOYSA-N
MW495.69 g/mol
LogP7.42
Rot. Bonds6

About N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide

N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 15709124) has the molecular formula C32H33NO2S and a molecular weight of 495.69 g/mol. Its IUPAC name is N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID15709124
Molecular FormulaC32H33NO2S
Molecular Weight495.69 g/mol
Exact Mass495.22
IUPAC NameN-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC2c3ccccc3-c3ccccc32)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C32H33NO2S/c1-23-18-20-25(21-19-23)36(34,35)33-32(31(2,3)4,24-12-6-5-7-13-24)22-30-28-16-10-8-14-26(28)27-15-9-11-17-29(27)30/h5-21,30,33H,22H2,1-4H3
InChIKeyIBXMFANPOVJUNA-UHFFFAOYSA-N
XLogP7.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.69
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide
CID 142732070
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
CID 92527840
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
N-[(1S,2S)-2-amino-1-chloro-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,3,5-trimethylbenzene
CID 161117073
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539

Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide (CID 15709124) is N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC2c3ccccc3-c3ccccc32)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is IBXMFANPOVJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO2S/c1-23-18-20-25(21-19-23)36(34,35)33-32(31(2,3)4,24-12-6-5-7-13-24)22-30-28-16-10-8-14-26(28)27-15-9-11-17-29(27)30/h5-21,30,33H,22H2,1-4H3.
What are the key properties of N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 495.69 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15709124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).