N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide

C23H27N3O3S — CID 86869061

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide
SMILESN#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c24-17-18-5-7-20(8-6-18)26-15-13-19(14-16-26)25-30(27,28)23-11-9-22(10-12-23)29-21-3-1-2-4-21/h5-12,19,21,25H,1-4,13-16H2
InChIKeyNTTBJFBPNPVARI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.83
Rot. Bonds6

About N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide (PubChem CID 86869061) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide
PubChem CID86869061
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide
SMILESN#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c24-17-18-5-7-20(8-6-18)26-15-13-19(14-16-26)25-30(27,28)23-11-9-22(10-12-23)29-21-3-1-2-4-21/h5-12,19,21,25H,1-4,13-16H2
InChIKeyNTTBJFBPNPVARI-UHFFFAOYSA-N
XLogP3.83
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 66710859
4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024414
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide (CID 86869061) is N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide is N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide?
The InChIKey is NTTBJFBPNPVARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c24-17-18-5-7-20(8-6-18)26-15-13-19(14-16-26)25-30(27,28)23-11-9-22(10-12-23)29-21-3-1-2-4-21/h5-12,19,21,25H,1-4,13-16H2.
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide is sourced from PubChem (CID 86869061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).