N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide

C28H22FNO2S — CID 102343066

IUPACN-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(c3ccccc3)=C(c3ccccc3)c3cccc(F)c32)cc1
InChIInChI=1S/C28H22FNO2S/c1-19-15-17-22(18-16-19)33(31,32)30-28-26(21-11-6-3-7-12-21)25(20-9-4-2-5-10-20)23-13-8-14-24(29)27(23)28/h2-18,28,30H,1H3
InChIKeyCAPRMASMMDNPSS-UHFFFAOYSA-N
MW455.55 g/mol
LogP6.13
Rot. Bonds5

About N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide

N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide (PubChem CID 102343066) has the molecular formula C28H22FNO2S and a molecular weight of 455.55 g/mol. Its IUPAC name is N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
PubChem CID102343066
Molecular FormulaC28H22FNO2S
Molecular Weight455.55 g/mol
Exact Mass455.14
IUPAC NameN-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(c3ccccc3)=C(c3ccccc3)c3cccc(F)c32)cc1
InChIInChI=1S/C28H22FNO2S/c1-19-15-17-22(18-16-19)33(31,32)30-28-26(21-11-6-3-7-12-21)25(20-9-4-2-5-10-20)23-13-8-14-24(29)27(23)28/h2-18,28,30H,1H3
InChIKeyCAPRMASMMDNPSS-UHFFFAOYSA-N
XLogP6.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide
CID 90240074
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
3-(2-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
CID 118721953
N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 135970614
5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
CID 135029088
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide (CID 102343066) is N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C(c3ccccc3)=C(c3ccccc3)c3cccc(F)c32)cc1.
What is the InChIKey of N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is CAPRMASMMDNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNO2S/c1-19-15-17-22(18-16-19)33(31,32)30-28-26(21-11-6-3-7-12-21)25(20-9-4-2-5-10-20)23-13-8-14-24(29)27(23)28/h2-18,28,30H,1H3.
What are the key properties of N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide?
N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 455.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102343066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).