N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C17H15Cl2FN2O4S2 — CID 112839230

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H15Cl2FN2O4S2/c18-14-8-13(15(19)27-14)28(25,26)21-16(23)11-2-1-7-22(9-11)17(24)10-3-5-12(20)6-4-10/h3-6,8,11H,1-2,7,9H2,(H,21,23)
InChIKeyMSAZYKCEPYXSQV-UHFFFAOYSA-N
MW465.36 g/mol
LogP3.55
Rot. Bonds4

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 112839230) has the molecular formula C17H15Cl2FN2O4S2 and a molecular weight of 465.36 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID112839230
Molecular FormulaC17H15Cl2FN2O4S2
Molecular Weight465.36 g/mol
Exact Mass463.98
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H15Cl2FN2O4S2/c18-14-8-13(15(19)27-14)28(25,26)21-16(23)11-2-1-7-22(9-11)17(24)10-3-5-12(20)6-4-10/h3-6,8,11H,1-2,7,9H2,(H,21,23)
InChIKeyMSAZYKCEPYXSQV-UHFFFAOYSA-N
XLogP3.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 112839243
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]formamide
CID 174516227
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 112839230) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide is O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is MSAZYKCEPYXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O4S2/c18-14-8-13(15(19)27-14)28(25,26)21-16(23)11-2-1-7-22(9-11)17(24)10-3-5-12(20)6-4-10/h3-6,8,11H,1-2,7,9H2,(H,21,23).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 465.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 112839230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).