4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide

C24H34N4O5S2 — CID 165388902

IUPAC4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H34N4O5S2/c1-26(2)35(31,32)22-9-7-21(8-10-22)34(29,30)25-23-5-3-4-6-24(23)28-13-11-20(12-14-28)19-27-15-17-33-18-16-27/h3-10,20,25H,11-19H2,1-2H3
InChIKeyVDABLWHEKFRYEN-UHFFFAOYSA-N
MW522.69 g/mol
LogP2.29
Rot. Bonds8

About 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide

4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide (PubChem CID 165388902) has the molecular formula C24H34N4O5S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
PubChem CID165388902
Molecular FormulaC24H34N4O5S2
Molecular Weight522.69 g/mol
Exact Mass522.20
IUPAC Name4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H34N4O5S2/c1-26(2)35(31,32)22-9-7-21(8-10-22)34(29,30)25-23-5-3-4-6-24(23)28-13-11-20(12-14-28)19-27-15-17-33-18-16-27/h3-10,20,25H,11-19H2,1-2H3
InChIKeyVDABLWHEKFRYEN-UHFFFAOYSA-N
XLogP2.29
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide
CID 175714104
2-N,2-N-dimethyl-5-N-[2-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]phenyl]thiophene-2,5-disulfonamide
CID 175714172
2-[4-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80668840
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
1-N-[3-chloro-2-(4-hydroxypiperidin-1-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 165376791
4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide (CID 165388902) is 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(CN3CCOCC3)CC2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide?
The InChIKey is VDABLWHEKFRYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S2/c1-26(2)35(31,32)22-9-7-21(8-10-22)34(29,30)25-23-5-3-4-6-24(23)28-13-11-20(12-14-28)19-27-15-17-33-18-16-27/h3-10,20,25H,11-19H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide?
4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide has a molecular weight of 522.69 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 165388902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).