N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide

C17H21FN4O3S — CID 71806888

IUPACN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cn1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-14(11-19-21)26(24,25)20-10-13-6-8-22(9-7-13)17(23)15-4-2-3-5-16(15)18/h2-5,11-13,20H,6-10H2,1H3
InChIKeyJFLDWFNZKIVCSH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.39
Rot. Bonds5

About N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71806888) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71806888
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cn1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-14(11-19-21)26(24,25)20-10-13-6-8-22(9-7-13)17(23)15-4-2-3-5-16(15)18/h2-5,11-13,20H,6-10H2,1H3
InChIKeyJFLDWFNZKIVCSH-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide (CID 71806888) is N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cn1.
What is the InChIKey of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is JFLDWFNZKIVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-21-12-14(11-19-21)26(24,25)20-10-13-6-8-22(9-7-13)17(23)15-4-2-3-5-16(15)18/h2-5,11-13,20H,6-10H2,1H3.
What are the key properties of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).