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

C17H16FN3O3S3 — CID 16830554

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H16FN3O3S3/c18-12-3-1-4-13-15(12)19-17(26-13)20-16(22)11-6-8-21(9-7-11)27(23,24)14-5-2-10-25-14/h1-5,10-11H,6-9H2,(H,19,20,22)
InChIKeyJKRBQNYXYIPCCP-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.54
Rot. Bonds4

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 16830554) has the molecular formula C17H16FN3O3S3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID16830554
Molecular FormulaC17H16FN3O3S3
Molecular Weight425.53 g/mol
Exact Mass425.03
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H16FN3O3S3/c18-12-3-1-4-13-15(12)19-17(26-13)20-16(22)11-6-8-21(9-7-11)27(23,24)14-5-2-10-25-14/h1-5,10-11H,6-9H2,(H,19,20,22)
InChIKeyJKRBQNYXYIPCCP-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830556
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831616
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826190
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830572
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 41099953
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 16830554) is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1nc2c(F)cccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JKRBQNYXYIPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S3/c18-12-3-1-4-13-15(12)19-17(26-13)20-16(22)11-6-8-21(9-7-11)27(23,24)14-5-2-10-25-14/h1-5,10-11H,6-9H2,(H,19,20,22).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16830554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).