N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide

C19H18ClN3O3S — CID 9328320

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H18ClN3O3S/c20-17-8-7-16(22-19(24)15-6-4-5-14(11-15)13-21)12-18(17)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,22,24)
InChIKeyWXIMAODNYWAGRU-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.64
Rot. Bonds4

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide (PubChem CID 9328320) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
PubChem CID9328320
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H18ClN3O3S/c20-17-8-7-16(22-19(24)15-6-4-5-14(11-15)13-21)12-18(17)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,22,24)
InChIKeyWXIMAODNYWAGRU-UHFFFAOYSA-N
XLogP3.64
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide 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-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 26375346
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide
CID 29331286
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide (CID 9328320) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide?
The InChIKey is WXIMAODNYWAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-17-8-7-16(22-19(24)15-6-4-5-14(11-15)13-21)12-18(17)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,22,24).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide has a molecular weight of 403.89 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 9328320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).