2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C23H17F2N3O4S2 — CID 2374706

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29)
InChIKeyCUQBLPWFKHAAND-UHFFFAOYSA-N
MW501.54 g/mol
LogP5.15
Rot. Bonds7

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

2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2374706) has the molecular formula C23H17F2N3O4S2 and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2374706
Molecular FormulaC23H17F2N3O4S2
Molecular Weight501.54 g/mol
Exact Mass501.06
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29)
InChIKeyCUQBLPWFKHAAND-UHFFFAOYSA-N
XLogP5.15
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.54
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 2374706) is 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CUQBLPWFKHAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29).
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 501.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).