2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide

C18H26N4O3S — CID 131938790

IUPAC2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
SMILESCCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1
InChIInChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3
InChIKeyAUIIWWFBPPYDIY-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.03
Rot. Bonds7

About 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide

2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide (PubChem CID 131938790) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
PubChem CID131938790
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
SMILESCCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1
InChIInChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3
InChIKeyAUIIWWFBPPYDIY-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 11532288
N-(3-methoxyphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914763
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4833032
N-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464754
N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 69196876
4-{[4-(2-Methoxyphenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6466269
1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 6466729
3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 122455262
5-fluoro-2-methoxy-N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 71807868
(3R*,4S*)-4-cyclopropyl-1-{[2-methoxy-5-(1H-pyrazol-1-yl)phenyl]sulfonyl}pyrrolidin-3-amine
CID 72937765
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((2-ethoxyphenyl)sulfonyl)piperazine
CID 71783852
1-ethyl-3,5-dimethyl-N-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)-1H-pyrazole-4-sulfonamide
CID 91626016

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide (CID 131938790) is 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide is CCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1.
What is the InChIKey of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is AUIIWWFBPPYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3.
What are the key properties of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 131938790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).