2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C24H20FN3O5S2 — CID 2374720

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C24H20FN3O5S2/c1-32-21-12-11-17(13-22(21)33-2)35(30,31)28-19-6-4-3-5-18(19)23(29)27-24-26-20(14-34-24)15-7-9-16(25)10-8-15/h3-14,28H,1-2H3,(H,26,27,29)
InChIKeyULCBNBSCTBMEBL-UHFFFAOYSA-N
MW513.57 g/mol
LogP5.02
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2374720) has the molecular formula C24H20FN3O5S2 and a molecular weight of 513.57 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2374720
Molecular FormulaC24H20FN3O5S2
Molecular Weight513.57 g/mol
Exact Mass513.08
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C24H20FN3O5S2/c1-32-21-12-11-17(13-22(21)33-2)35(30,31)28-19-6-4-3-5-18(19)23(29)27-24-26-20(14-34-24)15-7-9-16(25)10-8-15/h3-14,28H,1-2H3,(H,26,27,29)
InChIKeyULCBNBSCTBMEBL-UHFFFAOYSA-N
XLogP5.02
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 2374720) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ULCBNBSCTBMEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S2/c1-32-21-12-11-17(13-22(21)33-2)35(30,31)28-19-6-4-3-5-18(19)23(29)27-24-26-20(14-34-24)15-7-9-16(25)10-8-15/h3-14,28H,1-2H3,(H,26,27,29).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 513.57 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2374720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).