5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide

C18H20ClFN2O3S2 — CID 53103756

IUPAC5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H20ClFN2O3S2/c19-16-5-6-17(26-16)27(24,25)21-10-7-13-8-11-22(12-9-13)18(23)14-1-3-15(20)4-2-14/h1-6,13,21H,7-12H2
InChIKeyOUQNKEIZZAFEAJ-UHFFFAOYSA-N
MW430.95 g/mol
LogP3.76
Rot. Bonds6

About 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 53103756) has the molecular formula C18H20ClFN2O3S2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID53103756
Molecular FormulaC18H20ClFN2O3S2
Molecular Weight430.95 g/mol
Exact Mass430.06
IUPAC Name5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H20ClFN2O3S2/c19-16-5-6-17(26-16)27(24,25)21-10-7-13-8-11-22(12-9-13)18(23)14-1-3-15(20)4-2-14/h1-6,13,21H,7-12H2
InChIKeyOUQNKEIZZAFEAJ-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
5-chloro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-sulfonamide
CID 63622140
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide (CID 53103756) is 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide is O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is OUQNKEIZZAFEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S2/c19-16-5-6-17(26-16)27(24,25)21-10-7-13-8-11-22(12-9-13)18(23)14-1-3-15(20)4-2-14/h1-6,13,21H,7-12H2.
What are the key properties of 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 430.95 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).