3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide

C24H29N5O3S — CID 11442725

IUPAC3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C24H29N5O3S/c1-26-33(31,32)21-9-10-23(28-11-3-2-4-12-28)22(17-21)24(30)29-15-13-27(14-16-29)20-7-5-19(18-25)6-8-20/h5-10,17,26H,2-4,11-16H2,1H3
InChIKeyVOKJSPNXVHWQPU-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.42
Rot. Bonds5

About 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide

3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide (PubChem CID 11442725) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide
PubChem CID11442725
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C24H29N5O3S/c1-26-33(31,32)21-9-10-23(28-11-3-2-4-12-28)22(17-21)24(30)29-15-13-27(14-16-29)20-7-5-19(18-25)6-8-20/h5-10,17,26H,2-4,11-16H2,1H3
InChIKeyVOKJSPNXVHWQPU-UHFFFAOYSA-N
XLogP2.42
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-cyano-2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 11465586
4-chloro-3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55721017
N-tert-butyl-3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55720454
3-fluoro-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]benzonitrile
CID 59793707
3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-dimethyl-4-piperidin-1-ylbenzenesulfonamide
CID 55368190
4-(3-hydroxypiperidin-1-yl)-N-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 59793510
3-[4-(3-fluoro-4-methylphenyl)piperazine-1-carbonyl]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 71163796
4-[4-(5-methylsulfanyl-2-morpholin-4-ylbenzoyl)piperazin-1-yl]benzonitrile
CID 143289155
3-[4-(4-cyano-2-fluorophenyl)piperazine-1-carbonyl]-4-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 69291962
3-[4-(4-cyano-2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 69038374
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 11649168
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide (CID 11442725) is 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide?
The InChIKey is VOKJSPNXVHWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-26-33(31,32)21-9-10-23(28-11-3-2-4-12-28)22(17-21)24(30)29-15-13-27(14-16-29)20-7-5-19(18-25)6-8-20/h5-10,17,26H,2-4,11-16H2,1H3.
What are the key properties of 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide?
3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide has a molecular weight of 467.60 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 11442725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).