4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide

C18H18ClFN2O4S — CID 142013636

IUPAC4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)CCNCC1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-11-13(3-6-16(15)20)26-12-1-4-14(5-2-12)27(24,25)18(17(21)23)7-9-22-10-8-18/h1-6,11,22H,7-10H2,(H2,21,23)
InChIKeyAQAYMGQLWZMJQC-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.65
Rot. Bonds5

About 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide

4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 142013636) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID142013636
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)CCNCC1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-11-13(3-6-16(15)20)26-12-1-4-14(5-2-12)27(24,25)18(17(21)23)7-9-22-10-8-18/h1-6,11,22H,7-10H2,(H2,21,23)
InChIKeyAQAYMGQLWZMJQC-UHFFFAOYSA-N
XLogP2.65
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 11697283
4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hydroxypiperidine-4-carboxamide
CID 9803207
1-butyl-4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 9890733
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22985930
N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-piperidine-4-carboxamide Hydrochloride
CID 9867184
4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-methylpiperidine-4-carboxamide
CID 9932167
4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 10938505
(E)-(4-(((4-((2-(aminomethyl)-3-fluoroallyl)oxy)-2-chlorophenyl)sulfonyl)methyl) piperidin-1-yl)(cyclopropyl)methanone
CID 156340273
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide
CID 45484023
1-acetyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 45484025
4-[4-[4-(Trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 18616890
4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 20735361

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 142013636) is 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide is NC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)CCNCC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AQAYMGQLWZMJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-15-11-13(3-6-16(15)20)26-12-1-4-14(5-2-12)27(24,25)18(17(21)23)7-9-22-10-8-18/h1-6,11,22H,7-10H2,(H2,21,23).
What are the key properties of 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 142013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).