3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide

C24H20FN3O3S2 — CID 11190841

IUPAC3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-16-5-2-3-8-21(16)23(29)22-15-26-24(32-22)28-19-11-9-17(10-12-19)14-27-33(30,31)20-7-4-6-18(25)13-20/h2-13,15,27H,14H2,1H3,(H,26,28)
InChIKeyUTWBZDSHARBZHF-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.04
Rot. Bonds8

About 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide

3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide (PubChem CID 11190841) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
PubChem CID11190841
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC Name3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-16-5-2-3-8-21(16)23(29)22-15-26-24(32-22)28-19-11-9-17(10-12-19)14-27-33(30,31)20-7-4-6-18(25)13-20/h2-13,15,27H,14H2,1H3,(H,26,28)
InChIKeyUTWBZDSHARBZHF-UHFFFAOYSA-N
XLogP5.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide (CID 11190841) is 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)s1.
What is the InChIKey of 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The InChIKey is UTWBZDSHARBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c1-16-5-2-3-8-21(16)23(29)22-15-26-24(32-22)28-19-11-9-17(10-12-19)14-27-33(30,31)20-7-4-6-18(25)13-20/h2-13,15,27H,14H2,1H3,(H,26,28).
What are the key properties of 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 11190841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).