5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide

C24H20FN3O3S2 — CID 11167566

IUPAC5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-15-6-3-4-9-20(15)23(29)21-14-26-24(32-21)27-18-7-5-8-19(13-18)28-33(30,31)22-12-17(25)11-10-16(22)2/h3-14,28H,1-2H3,(H,26,27)
InChIKeyHIRVEMLRIUOQDY-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.67
Rot. Bonds7

About 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide

5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide (PubChem CID 11167566) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide
PubChem CID11167566
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC Name5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-15-6-3-4-9-20(15)23(29)21-14-26-24(32-21)27-18-7-5-8-19(13-18)28-33(30,31)22-12-17(25)11-10-16(22)2/h3-14,28H,1-2H3,(H,26,27)
InChIKeyHIRVEMLRIUOQDY-UHFFFAOYSA-N
XLogP5.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide (CID 11167566) is 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(Nc2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)s1.
What is the InChIKey of 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is HIRVEMLRIUOQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c1-15-6-3-4-9-20(15)23(29)21-14-26-24(32-21)27-18-7-5-8-19(13-18)28-33(30,31)22-12-17(25)11-10-16(22)2/h3-14,28H,1-2H3,(H,26,27).
What are the key properties of 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 11167566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).