N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H26N4O3S — CID 55359546

IUPACN-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-18-7-5-6-16-27(18)31(29,30)21-12-10-20(11-13-21)23(28)25-22-14-15-24-26(22)17-19-8-3-2-4-9-19/h2-4,8-15,18H,5-7,16-17H2,1H3,(H,25,28)
InChIKeyMXUREBHVHSEQIX-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.75
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55359546) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55359546
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-18-7-5-6-16-27(18)31(29,30)21-12-10-20(11-13-21)23(28)25-22-14-15-24-26(22)17-19-8-3-2-4-9-19/h2-4,8-15,18H,5-7,16-17H2,1H3,(H,25,28)
InChIKeyMXUREBHVHSEQIX-UHFFFAOYSA-N
XLogP3.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55359546) is N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is MXUREBHVHSEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-18-7-5-6-16-27(18)31(29,30)21-12-10-20(11-13-21)23(28)25-22-14-15-24-26(22)17-19-8-3-2-4-9-19/h2-4,8-15,18H,5-7,16-17H2,1H3,(H,25,28).
What are the key properties of N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55359546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).