N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C19H19FN6O3S — CID 3214830

IUPACN-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C19H19FN6O3S/c20-17-5-1-2-6-18(17)22-19(27)14-4-3-11-25(12-14)30(28,29)16-9-7-15(8-10-16)26-13-21-23-24-26/h1-2,5-10,13-14H,3-4,11-12H2,(H,22,27)
InChIKeyUKOLBCSKCQWWMQ-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.84
Rot. Bonds5

About N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 3214830) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID3214830
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC NameN-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C19H19FN6O3S/c20-17-5-1-2-6-18(17)22-19(27)14-4-3-11-25(12-14)30(28,29)16-9-7-15(8-10-16)26-13-21-23-24-26/h1-2,5-10,13-14H,3-4,11-12H2,(H,22,27)
InChIKeyUKOLBCSKCQWWMQ-UHFFFAOYSA-N
XLogP1.84
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 3214830) is N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is UKOLBCSKCQWWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3S/c20-17-5-1-2-6-18(17)22-19(27)14-4-3-11-25(12-14)30(28,29)16-9-7-15(8-10-16)26-13-21-23-24-26/h1-2,5-10,13-14H,3-4,11-12H2,(H,22,27).
What are the key properties of N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3214830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).