N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide

C21H36N4O5S2 — CID 55626277

IUPACN-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H36N4O5S2/c1-22(2)31(26,27)21-11-9-20(10-12-21)30-18-17-24-13-15-25(16-14-24)32(28,29)23(3)19-7-5-4-6-8-19/h9-12,19H,4-8,13-18H2,1-3H3
InChIKeyOSYPOSXZNQHHQD-UHFFFAOYSA-N
MW488.68 g/mol
LogP1.44
Rot. Bonds9

About N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 55626277) has the molecular formula C21H36N4O5S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
PubChem CID55626277
Molecular FormulaC21H36N4O5S2
Molecular Weight488.68 g/mol
Exact Mass488.21
IUPAC NameN-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H36N4O5S2/c1-22(2)31(26,27)21-11-9-20(10-12-21)30-18-17-24-13-15-25(16-14-24)32(28,29)23(3)19-7-5-4-6-8-19/h9-12,19H,4-8,13-18H2,1-3H3
InChIKeyOSYPOSXZNQHHQD-UHFFFAOYSA-N
XLogP1.44
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55565091
N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
CID 55565914
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
4-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 38518687
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide (CID 55626277) is N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is OSYPOSXZNQHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O5S2/c1-22(2)31(26,27)21-11-9-20(10-12-21)30-18-17-24-13-15-25(16-14-24)32(28,29)23(3)19-7-5-4-6-8-19/h9-12,19H,4-8,13-18H2,1-3H3.
What are the key properties of N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 488.68 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55626277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).