N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide

C18H14F2N2O3S2 — CID 16820846

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C18H14F2N2O3S2/c1-2-27(24,25)13-6-3-11(4-7-13)17(23)22-18-21-16(10-26-18)12-5-8-14(19)15(20)9-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyWJTMYKXFAFMZFP-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.13
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide (PubChem CID 16820846) has the molecular formula C18H14F2N2O3S2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
PubChem CID16820846
Molecular FormulaC18H14F2N2O3S2
Molecular Weight408.45 g/mol
Exact Mass408.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C18H14F2N2O3S2/c1-2-27(24,25)13-6-3-11(4-7-13)17(23)22-18-21-16(10-26-18)12-5-8-14(19)15(20)9-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyWJTMYKXFAFMZFP-UHFFFAOYSA-N
XLogP4.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfonyl-3-nitrobenzamide
CID 26176205
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide (CID 16820846) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide?
The InChIKey is WJTMYKXFAFMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S2/c1-2-27(24,25)13-6-3-11(4-7-13)17(23)22-18-21-16(10-26-18)12-5-8-14(19)15(20)9-12/h3-10H,2H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide has a molecular weight of 408.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide is sourced from PubChem (CID 16820846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).