2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide

C21H19F2N3O4S2 — CID 26291689

IUPAC2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O4S2/c1-13-19(14-2-4-15(22)5-3-14)24-21(31-13)25-20(27)17-12-16(6-7-18(17)23)32(28,29)26-8-10-30-11-9-26/h2-7,12H,8-11H2,1H3,(H,24,25,27)
InChIKeyZEFXMTNGKDZTIN-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.67
Rot. Bonds5

About 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26291689) has the molecular formula C21H19F2N3O4S2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26291689
Molecular FormulaC21H19F2N3O4S2
Molecular Weight479.53 g/mol
Exact Mass479.08
IUPAC Name2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O4S2/c1-13-19(14-2-4-15(22)5-3-14)24-21(31-13)25-20(27)17-12-16(6-7-18(17)23)32(28,29)26-8-10-30-11-9-26/h2-7,12H,8-11H2,1H3,(H,24,25,27)
InChIKeyZEFXMTNGKDZTIN-UHFFFAOYSA-N
XLogP3.67
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55787994
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide
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2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
2-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 24636464
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
CID 31030862
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
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CID 9095795
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 162747418
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide (CID 26291689) is 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide is Cc1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZEFXMTNGKDZTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4S2/c1-13-19(14-2-4-15(22)5-3-14)24-21(31-13)25-20(27)17-12-16(6-7-18(17)23)32(28,29)26-8-10-30-11-9-26/h2-7,12H,8-11H2,1H3,(H,24,25,27).
What are the key properties of 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 479.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26291689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).