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

C17H14FN3O3S2 — CID 51112118

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C17H14FN3O3S2/c1-26(23,24)21-14-7-5-11(6-8-14)16(22)20-17-19-15(10-25-17)12-3-2-4-13(18)9-12/h2-10,21H,1H3,(H,19,20,22)
InChIKeyHRGZLTFXWDWMEM-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.57
Rot. Bonds5

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide (PubChem CID 51112118) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
PubChem CID51112118
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C17H14FN3O3S2/c1-26(23,24)21-14-7-5-11(6-8-14)16(22)20-17-19-15(10-25-17)12-3-2-4-13(18)9-12/h2-10,21H,1H3,(H,19,20,22)
InChIKeyHRGZLTFXWDWMEM-UHFFFAOYSA-N
XLogP3.57
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35804756
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75451205
3-(2,2-dimethylpropanoylamino)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30542317
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760102
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide (CID 51112118) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The InChIKey is HRGZLTFXWDWMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c1-26(23,24)21-14-7-5-11(6-8-14)16(22)20-17-19-15(10-25-17)12-3-2-4-13(18)9-12/h2-10,21H,1H3,(H,19,20,22).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 51112118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).