3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C20H21N3O3S — CID 40602464

IUPAC3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O3S/c1-15-8-9-18(27(25,26)23-10-3-2-4-11-23)13-19(15)22-20(24)17-7-5-6-16(12-17)14-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyMHAOBHJVIBRCSP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.29
Rot. Bonds4

About 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 40602464) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID40602464
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O3S/c1-15-8-9-18(27(25,26)23-10-3-2-4-11-23)13-19(15)22-20(24)17-7-5-6-16(12-17)14-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyMHAOBHJVIBRCSP-UHFFFAOYSA-N
XLogP3.29
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
4-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 4796819

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 40602464) is 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MHAOBHJVIBRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-8-9-18(27(25,26)23-10-3-2-4-11-23)13-19(15)22-20(24)17-7-5-6-16(12-17)14-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24).
What are the key properties of 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 40602464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).