N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide

C16H23FN2O3S — CID 71808834

IUPACN-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-16(2,3)18-15(20)19-10-8-14(9-11-19)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyAIJDNVWOLDMKEX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds2

About N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide

N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 71808834) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
PubChem CID71808834
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-16(2,3)18-15(20)19-10-8-14(9-11-19)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyAIJDNVWOLDMKEX-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (CID 71808834) is N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is AIJDNVWOLDMKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-16(2,3)18-15(20)19-10-8-14(9-11-19)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 71808834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).