N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C19H16Cl2FN3O3S3 — CID 16828927

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16Cl2FN3O3S3/c20-16-8-14(17(21)30-16)15-10-29-19(23-15)24-18(26)11-2-1-7-25(9-11)31(27,28)13-5-3-12(22)4-6-13/h3-6,8,10-11H,1-2,7,9H2,(H,23,24,26)
InChIKeyGHTPWCMFJPTBOY-UHFFFAOYSA-N
MW520.46 g/mol
LogP5.36
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16828927) has the molecular formula C19H16Cl2FN3O3S3 and a molecular weight of 520.46 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16828927
Molecular FormulaC19H16Cl2FN3O3S3
Molecular Weight520.46 g/mol
Exact Mass518.97
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16Cl2FN3O3S3/c20-16-8-14(17(21)30-16)15-10-29-19(23-15)24-18(26)11-2-1-7-25(9-11)31(27,28)13-5-3-12(22)4-6-13/h3-6,8,10-11H,1-2,7,9H2,(H,23,24,26)
InChIKeyGHTPWCMFJPTBOY-UHFFFAOYSA-N
XLogP5.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827505
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861575
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861544
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26207711
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861657
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
1-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16804460
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27897743
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 16828927) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GHTPWCMFJPTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O3S3/c20-16-8-14(17(21)30-16)15-10-29-19(23-15)24-18(26)11-2-1-7-25(9-11)31(27,28)13-5-3-12(22)4-6-13/h3-6,8,10-11H,1-2,7,9H2,(H,23,24,26).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 520.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16828927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).