1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide

C20H21N3O4S — CID 9092358

IUPAC1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CO)c2)CC1
InChIInChI=1S/C20H21N3O4S/c21-13-17-5-1-2-7-19(17)28(26,27)23-10-8-16(9-11-23)20(25)22-18-6-3-4-15(12-18)14-24/h1-7,12,16,24H,8-11,14H2,(H,22,25)
InChIKeyMAHBXADXXUIVEZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.09
Rot. Bonds5

About 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide (PubChem CID 9092358) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
PubChem CID9092358
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CO)c2)CC1
InChIInChI=1S/C20H21N3O4S/c21-13-17-5-1-2-7-19(17)28(26,27)23-10-8-16(9-11-23)20(25)22-18-6-3-4-15(12-18)14-24/h1-7,12,16,24H,8-11,14H2,(H,22,25)
InChIKeyMAHBXADXXUIVEZ-UHFFFAOYSA-N
XLogP2.09
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide 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

1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
N-(3-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26795902
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 78816969
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide (CID 9092358) is 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CO)c2)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is MAHBXADXXUIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c21-13-17-5-1-2-7-19(17)28(26,27)23-10-8-16(9-11-23)20(25)22-18-6-3-4-15(12-18)14-24/h1-7,12,16,24H,8-11,14H2,(H,22,25).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 9092358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).