4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide

C17H23N3O4S3 — CID 175714104

IUPAC4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1csc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H23N3O4S3/c1-19(2)27(23,24)14-12-17(25-13-14)26(21,22)18-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3
InChIKeyOZPHATLAEKOOLH-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.79
Rot. Bonds6

About 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide

4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide (PubChem CID 175714104) has the molecular formula C17H23N3O4S3 and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide
PubChem CID175714104
Molecular FormulaC17H23N3O4S3
Molecular Weight429.59 g/mol
Exact Mass429.09
IUPAC Name4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1csc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H23N3O4S3/c1-19(2)27(23,24)14-12-17(25-13-14)26(21,22)18-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3
InChIKeyOZPHATLAEKOOLH-UHFFFAOYSA-N
XLogP2.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-piperidin-1-ylphenyl)thiourea
CID 4964813
4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
CID 165388902
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide (CID 175714104) is 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide is CN(C)S(=O)(=O)c1csc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide?
The InChIKey is OZPHATLAEKOOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S3/c1-19(2)27(23,24)14-12-17(25-13-14)26(21,22)18-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide?
4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide has a molecular weight of 429.59 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide is sourced from PubChem (CID 175714104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).