3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide

C19H24N4O6S — CID 46297865

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)n[nH]2)cc1
InChIInChI=1S/C19H24N4O6S/c1-2-27-15-5-3-14(4-6-15)22-30(25,26)17-13-16(20-21-17)18(24)23-9-7-19(8-10-23)28-11-12-29-19/h3-6,13,22H,2,7-12H2,1H3,(H,20,21)
InChIKeyJIGKYOPQYGXXCJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.59
Rot. Bonds6

About 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 46297865) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID46297865
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)n[nH]2)cc1
InChIInChI=1S/C19H24N4O6S/c1-2-27-15-5-3-14(4-6-15)22-30(25,26)17-13-16(20-21-17)18(24)23-9-7-19(8-10-23)28-11-12-29-19/h3-6,13,22H,2,7-12H2,1H3,(H,20,21)
InChIKeyJIGKYOPQYGXXCJ-UHFFFAOYSA-N
XLogP1.59
TPSA122.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
CID 46297855
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860
N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
CID 46297845
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 51109876
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372888
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072247

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide (CID 46297865) is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)n[nH]2)cc1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JIGKYOPQYGXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-2-27-15-5-3-14(4-6-15)22-30(25,26)17-13-16(20-21-17)18(24)23-9-7-19(8-10-23)28-11-12-29-19/h3-6,13,22H,2,7-12H2,1H3,(H,20,21).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide?
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 436.49 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 46297865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).