4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C23H24FN5O3S2 — CID 87145677

IUPAC4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C23H24FN5O3S2/c1-23(2,3)20-14-21(29(27-20)17-7-5-6-8-18(17)32-4)26-15-9-10-19(16(24)13-15)34(30,31)28-22-25-11-12-33-22/h5-14,26H,1-4H3,(H,25,28)
InChIKeyYJTNATILLJMQIJ-UHFFFAOYSA-N
MW501.61 g/mol
LogP5.32
Rot. Bonds7

About 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87145677) has the molecular formula C23H24FN5O3S2 and a molecular weight of 501.61 g/mol. Its IUPAC name is 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87145677
Molecular FormulaC23H24FN5O3S2
Molecular Weight501.61 g/mol
Exact Mass501.13
IUPAC Name4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C23H24FN5O3S2/c1-23(2,3)20-14-21(29(27-20)17-7-5-6-8-18(17)32-4)26-15-9-10-19(16(24)13-15)34(30,31)28-22-25-11-12-33-22/h5-14,26H,1-4H3,(H,25,28)
InChIKeyYJTNATILLJMQIJ-UHFFFAOYSA-N
XLogP5.32
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87145677) is 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1.
What is the InChIKey of 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YJTNATILLJMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S2/c1-23(2,3)20-14-21(29(27-20)17-7-5-6-8-18(17)32-4)26-15-9-10-19(16(24)13-15)34(30,31)28-22-25-11-12-33-22/h5-14,26H,1-4H3,(H,25,28).
What are the key properties of 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 501.61 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87145677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).