3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

C19H19N3O3S — CID 108736275

IUPAC3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H19N3O3S/c20-13-16-4-3-5-17(12-16)19(23)21-14-15-6-8-18(9-7-15)26(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11,14H2,(H,21,23)
InChIKeyWZOYLFJHECGJKS-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.27
Rot. Bonds5

About 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 108736275) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID108736275
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H19N3O3S/c20-13-16-4-3-5-17(12-16)19(23)21-14-15-6-8-18(9-7-15)26(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11,14H2,(H,21,23)
InChIKeyWZOYLFJHECGJKS-UHFFFAOYSA-N
XLogP2.27
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide 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

N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 110405088
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (CID 108736275) is 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is WZOYLFJHECGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-13-16-4-3-5-17(12-16)19(23)21-14-15-6-8-18(9-7-15)26(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11,14H2,(H,21,23).
What are the key properties of 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 108736275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).