N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide

C22H25N3O4S2 — CID 19684514

IUPACN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H25N3O4S2/c1-16-6-3-7-17(2)25(16)31(28,29)20-13-11-19(12-14-20)24-30(26,27)21-10-4-8-18-9-5-15-23-22(18)21/h4-5,8-17,24H,3,6-7H2,1-2H3
InChIKeyWHVLVVHETFXCRO-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.99
Rot. Bonds5

About N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide (PubChem CID 19684514) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
PubChem CID19684514
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H25N3O4S2/c1-16-6-3-7-17(2)25(16)31(28,29)20-13-11-19(12-14-20)24-30(26,27)21-10-4-8-18-9-5-15-23-22(18)21/h4-5,8-17,24H,3,6-7H2,1-2H3
InChIKeyWHVLVVHETFXCRO-UHFFFAOYSA-N
XLogP3.99
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
2,4,5-trichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684524
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2,5-dichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684508
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 42998815
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid
CID 42913165
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide (CID 19684514) is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide?
The InChIKey is WHVLVVHETFXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-16-6-3-7-17(2)25(16)31(28,29)20-13-11-19(12-14-20)24-30(26,27)21-10-4-8-18-9-5-15-23-22(18)21/h4-5,8-17,24H,3,6-7H2,1-2H3.
What are the key properties of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide?
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide has a molecular weight of 459.59 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 19684514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).