4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

C16H18FN3O3S2 — CID 4827139

IUPAC4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H18FN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-5-6-13(17)14(9-12)25(22,23)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyRURXVQIOTAYAPE-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.02
Rot. Bonds4

About 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 4827139) has the molecular formula C16H18FN3O3S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID4827139
Molecular FormulaC16H18FN3O3S2
Molecular Weight383.47 g/mol
Exact Mass383.08
IUPAC Name4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H18FN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-5-6-13(17)14(9-12)25(22,23)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyRURXVQIOTAYAPE-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
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CID 5329385
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
3-methyl-N-[5-(4-morpholinylmethyl)-1,3-thiazol-2-yl]benzamide
CID 1252103
N-(5-methyl-1,3-thiazol-2-yl)benzamide
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4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benzamide
CID 652627
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
CID 1101752
4-(piperidin-1-ylsulfonyl)-N-(thiazol-2-yl)benzamide
CID 1158565
N-(5-{4-[(difluoromethyl)sulfanyl]benzyl}-1,3-thiazol-2-yl)-4-methylbenzamide
CID 1527277
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 1982030
3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2115997
2-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2621052

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 4827139) is 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is Cc1cnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RURXVQIOTAYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-5-6-13(17)14(9-12)25(22,23)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,21).
What are the key properties of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4827139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).