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

C20H17F2N3O4S2 — CID 26066731

IUPAC4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H17F2N3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyVIGCLICHTODLMB-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.36
Rot. Bonds5

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

4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26066731) has the molecular formula C20H17F2N3O4S2 and a molecular weight of 465.50 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26066731
Molecular FormulaC20H17F2N3O4S2
Molecular Weight465.50 g/mol
Exact Mass465.06
IUPAC Name4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H17F2N3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyVIGCLICHTODLMB-UHFFFAOYSA-N
XLogP3.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55596810
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2334782
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16561590
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 32622707
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 26066731) is 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VIGCLICHTODLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26).
What are the key properties of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 465.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26066731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).