N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C16H19FN4O3S — CID 20958662

IUPACN-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C16H19FN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-4-5-12(9-21)16(22)19-14-7-3-2-6-13(14)17/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyATJNIUGJUMDYAO-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.60
Rot. Bonds4

About N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20958662) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20958662
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C16H19FN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-4-5-12(9-21)16(22)19-14-7-3-2-6-13(14)17/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyATJNIUGJUMDYAO-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 20958662) is N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3F)C2)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ATJNIUGJUMDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-4-5-12(9-21)16(22)19-14-7-3-2-6-13(14)17/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20958662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).