(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C17H16FN3O3S3 — CID 27545897

IUPAC(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FN3O3S3/c18-11-5-3-7-13-15(11)19-17(26-13)20-16(22)12-6-1-2-9-21(12)27(23,24)14-8-4-10-25-14/h3-5,7-8,10,12H,1-2,6,9H2,(H,19,20,22)/t12-/m1/s1
InChIKeyULCKSTWSJMOICQ-GFCCVEGCSA-N
MW425.53 g/mol
LogP3.68
Rot. Bonds4

About (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 27545897) has the molecular formula C17H16FN3O3S3 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID27545897
Molecular FormulaC17H16FN3O3S3
Molecular Weight425.53 g/mol
Exact Mass425.03
IUPAC Name(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16FN3O3S3/c18-11-5-3-7-13-15(11)19-17(26-13)20-16(22)12-6-1-2-9-21(12)27(23,24)14-8-4-10-25-14/h3-5,7-8,10,12H,1-2,6,9H2,(H,19,20,22)/t12-/m1/s1
InChIKeyULCKSTWSJMOICQ-GFCCVEGCSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
1-(4-chlorophenyl)sulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827796
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827403
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 41166645
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826295
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826480
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16825969
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 16826725
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 27545897) is (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is O=C(Nc1nc2c(F)cccc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is ULCKSTWSJMOICQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3O3S3/c18-11-5-3-7-13-15(11)19-17(26-13)20-16(22)12-6-1-2-9-21(12)27(23,24)14-8-4-10-25-14/h3-5,7-8,10,12H,1-2,6,9H2,(H,19,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 27545897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).