1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide

C17H25FN2O3S — CID 6619133

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)10-11-19-17(21)16-5-3-4-12-20(16)24(22,23)15-8-6-14(18)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyFFZJYWLIFNSUKS-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.53
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide (PubChem CID 6619133) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide
PubChem CID6619133
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)10-11-19-17(21)16-5-3-4-12-20(16)24(22,23)15-8-6-14(18)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyFFZJYWLIFNSUKS-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide (CID 6619133) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide is CC(C)CCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The InChIKey is FFZJYWLIFNSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-13(2)10-11-19-17(21)16-5-3-4-12-20(16)24(22,23)15-8-6-14(18)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,19,21).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 6619133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).