N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H21FN4O3S — CID 4776520

IUPACN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-16(10-20-21)26(24,25)22-8-2-3-14(11-22)17(23)19-9-13-4-6-15(18)7-5-13/h4-7,10,12,14H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeySZFACPPMSOKHEN-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.28
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4776520) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4776520
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-16(10-20-21)26(24,25)22-8-2-3-14(11-22)17(23)19-9-13-4-6-15(18)7-5-13/h4-7,10,12,14H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeySZFACPPMSOKHEN-UHFFFAOYSA-N
XLogP1.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 4776520) is N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is Cn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SZFACPPMSOKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-21-12-16(10-20-21)26(24,25)22-8-2-3-14(11-22)17(23)19-9-13-4-6-15(18)7-5-13/h4-7,10,12,14H,2-3,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4776520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).