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

C23H18N2O2S2 — CID 25036163

IUPACN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1
InChIInChI=1S/C23H18N2O2S2/c1-15-6-9-19(10-7-15)29(26,27)25-23-24-22(14-28-23)17-8-11-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H,24,25)
InChIKeyCJYFOCBRXFTVLG-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.49
Rot. Bonds4

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

N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 25036163) has the molecular formula C23H18N2O2S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID25036163
Molecular FormulaC23H18N2O2S2
Molecular Weight418.54 g/mol
Exact Mass418.08
IUPAC NameN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1
InChIInChI=1S/C23H18N2O2S2/c1-15-6-9-19(10-7-15)29(26,27)25-23-24-22(14-28-23)17-8-11-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H,24,25)
InChIKeyCJYFOCBRXFTVLG-UHFFFAOYSA-N
XLogP5.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(9H-fluoren-2-yl)-1,3-thiazol-2-amine
CID 63472982
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
4-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzenesulfonamide;4-naphthalen-1-yl-1,3-thiazol-2-amine;hydrobromide
CID 161448833
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 4058232
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 43853538
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 25036163) is N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1.
What is the InChIKey of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is CJYFOCBRXFTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S2/c1-15-6-9-19(10-7-15)29(26,27)25-23-24-22(14-28-23)17-8-11-21-18(13-17)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H,24,25).
What are the key properties of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 418.54 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25036163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).