N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

C21H35N3O3S — CID 18549144

IUPACN-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1N1CCNCC1
InChIInChI=1S/C21H35N3O3S/c1-21(2,3)16-5-7-17(8-6-16)23-28(25,26)18-9-10-20(27-4)19(15-18)24-13-11-22-12-14-24/h9-10,15-17,22-23H,5-8,11-14H2,1-4H3
InChIKeySOPLDENOZYKKJE-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.99
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 18549144) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PubChem CID18549144
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1N1CCNCC1
InChIInChI=1S/C21H35N3O3S/c1-21(2,3)16-5-7-17(8-6-16)23-28(25,26)18-9-10-20(27-4)19(15-18)24-13-11-22-12-14-24/h9-10,15-17,22-23H,5-8,11-14H2,1-4H3
InChIKeySOPLDENOZYKKJE-UHFFFAOYSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-[2-(7-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465041
4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 57334668
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (CID 18549144) is N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1N1CCNCC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is SOPLDENOZYKKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-21(2,3)16-5-7-17(8-6-16)23-28(25,26)18-9-10-20(27-4)19(15-18)24-13-11-22-12-14-24/h9-10,15-17,22-23H,5-8,11-14H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 409.60 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 18549144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).