1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide

C22H22N2O5S — CID 175949360

IUPAC1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C22H22N2O5S/c1-23(2)30(28,29)15-9-11-24(12-10-15)22(27)14-7-8-18-19(13-14)21(26)17-6-4-3-5-16(17)20(18)25/h3-8,13,15H,9-12H2,1-2H3
InChIKeySLQGUTCRAIZGDM-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.96
Rot. Bonds3

About 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide

1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide (PubChem CID 175949360) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
PubChem CID175949360
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C22H22N2O5S/c1-23(2)30(28,29)15-9-11-24(12-10-15)22(27)14-7-8-18-19(13-14)21(26)17-6-4-3-5-16(17)20(18)25/h3-8,13,15H,9-12H2,1-2H3
InChIKeySLQGUTCRAIZGDM-UHFFFAOYSA-N
XLogP1.96
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
CID 16764901
N-[2-(dimethylamino)ethyl]-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 86945861
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
2-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidine-1-carbonyl]anthracene-9,10-dione
CID 139906530
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]methanesulfinate
CID 170189766
1-[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]cyclopropane-1-sulfinic acid
CID 170189844

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide?
The IUPAC name of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide (CID 175949360) is 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide is CN(C)S(=O)(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide?
The InChIKey is SLQGUTCRAIZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-23(2)30(28,29)15-9-11-24(12-10-15)22(27)14-7-8-18-19(13-14)21(26)17-6-4-3-5-16(17)20(18)25/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide?
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide has a molecular weight of 426.49 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide is sourced from PubChem (CID 175949360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).