4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile

C22H25N3O2S — CID 143369390

IUPAC4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c23-17-18-3-5-19(6-4-18)20-7-9-22(10-8-20)28(26,27)25-15-11-21(12-16-25)24-13-1-2-14-24/h3-10,21H,1-2,11-16H2
InChIKeyPUWPHQRTFZFLAM-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.47
Rot. Bonds4

About 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile

4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile (PubChem CID 143369390) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile
PubChem CID143369390
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c23-17-18-3-5-19(6-4-18)20-7-9-22(10-8-20)28(26,27)25-15-11-21(12-16-25)24-13-1-2-14-24/h3-10,21H,1-2,11-16H2
InChIKeyPUWPHQRTFZFLAM-UHFFFAOYSA-N
XLogP3.47
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile 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-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
4-[6-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210850
4-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]sulfonylbenzonitrile
CID 66903974
4-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 52813373
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
[4-(4-cyanophenyl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4009983
4-[4-(3-oxopyrrolidin-1-yl)sulfonylphenyl]benzonitrile
CID 143369485
[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate
CID 175545584
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile?
The IUPAC name of 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile (CID 143369390) is 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile?
The canonical SMILES for 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile is N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile?
The InChIKey is PUWPHQRTFZFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c23-17-18-3-5-19(6-4-18)20-7-9-22(10-8-20)28(26,27)25-15-11-21(12-16-25)24-13-1-2-14-24/h3-10,21H,1-2,11-16H2.
What are the key properties of 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile?
4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile has a molecular weight of 395.53 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile is sourced from PubChem (CID 143369390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).