N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide

C24H30N4O5S2 — CID 156504188

IUPACN,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCOCC4)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H30N4O5S2/c1-26(2)34(29,30)19-7-9-20(10-8-19)35(31,32)28-22-6-4-3-5-21(22)23(25-28)27-15-11-24(12-16-27)13-17-33-18-14-24/h3-10H,11-18H2,1-2H3
InChIKeyVLIZZLHSLJEFRK-UHFFFAOYSA-N
MW518.66 g/mol
LogP2.92
Rot. Bonds5

About N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide (PubChem CID 156504188) has the molecular formula C24H30N4O5S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
PubChem CID156504188
Molecular FormulaC24H30N4O5S2
Molecular Weight518.66 g/mol
Exact Mass518.17
IUPAC NameN,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCOCC4)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H30N4O5S2/c1-26(2)34(29,30)19-7-9-20(10-8-19)35(31,32)28-22-6-4-3-5-21(22)23(25-28)27-15-11-24(12-16-27)13-17-33-18-14-24/h3-10H,11-18H2,1-2H3
InChIKeyVLIZZLHSLJEFRK-UHFFFAOYSA-N
XLogP2.92
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
CID 101434864
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CID 59259382
3-(4,4-difluoropiperidin-1-yl)-1-(1-phenylethylsulfonyl)indazole
CID 156532055
5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
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N,N-dimethyl-4-(morpholin-4-ylamino)benzenesulfonamide
CID 83025680
4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide
CID 22969339
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
4-[[4-(chloromethyl)oxan-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 106300134
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide (CID 156504188) is N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCOCC4)CC3)c3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is VLIZZLHSLJEFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S2/c1-26(2)34(29,30)19-7-9-20(10-8-19)35(31,32)28-22-6-4-3-5-21(22)23(25-28)27-15-11-24(12-16-27)13-17-33-18-14-24/h3-10H,11-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 518.66 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 156504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).