3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

C18H24N4O3S — CID 72877749

IUPAC3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCCCC1
InChIInChI=1S/C18H24N4O3S/c23-18(21-11-2-1-3-12-21)16-7-4-8-17(15-16)26(24,25)20-10-6-14-22-13-5-9-19-22/h4-5,7-9,13,15,20H,1-3,6,10-12,14H2
InChIKeyNSDTUJZAIZULGJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.88
Rot. Bonds7

About 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 72877749) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID72877749
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCCCC1
InChIInChI=1S/C18H24N4O3S/c23-18(21-11-2-1-3-12-21)16-7-4-8-17(15-16)26(24,25)20-10-6-14-22-13-5-9-19-22/h4-5,7-9,13,15,20H,1-3,6,10-12,14H2
InChIKeyNSDTUJZAIZULGJ-UHFFFAOYSA-N
XLogP1.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 72877749) is 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is NSDTUJZAIZULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-18(21-11-2-1-3-12-21)16-7-4-8-17(15-16)26(24,25)20-10-6-14-22-13-5-9-19-22/h4-5,7-9,13,15,20H,1-3,6,10-12,14H2.
What are the key properties of 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 72877749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).