3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

C17H22N4O4S — CID 72875587

IUPAC3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCOCC1
InChIInChI=1S/C17H22N4O4S/c22-17(20-10-12-25-13-11-20)15-4-1-5-16(14-15)26(23,24)19-7-3-9-21-8-2-6-18-21/h1-2,4-6,8,14,19H,3,7,9-13H2
InChIKeyMASSLDQNEDOWBF-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.72
Rot. Bonds7

About 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 72875587) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID72875587
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCOCC1
InChIInChI=1S/C17H22N4O4S/c22-17(20-10-12-25-13-11-20)15-4-1-5-16(14-15)26(23,24)19-7-3-9-21-8-2-6-18-21/h1-2,4-6,8,14,19H,3,7,9-13H2
InChIKeyMASSLDQNEDOWBF-UHFFFAOYSA-N
XLogP0.72
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24982266
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 16323929
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
(3-Methylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551175
[3-(3-Pyrazol-1-ylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 53556422
N-methyl-4-(3-pyrazol-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 53561154
4-[2-Oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 53564799
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}sulfonyl)benzamide
CID 70764346

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 72875587) is 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCCCn2cccn2)c1)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is MASSLDQNEDOWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-17(20-10-12-25-13-11-20)15-4-1-5-16(14-15)26(23,24)19-7-3-9-21-8-2-6-18-21/h1-2,4-6,8,14,19H,3,7,9-13H2.
What are the key properties of 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 72875587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).