N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide

C19H21N3O2S — CID 169372874

IUPACN-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C19H21N3O2S/c1-15-5-8-17(9-6-15)25(23,24)21-18-13-16(14-20)7-10-19(18)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyBRDHUKWZDAPCNA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds4

About N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide

N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169372874) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID169372874
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C19H21N3O2S/c1-15-5-8-17(9-6-15)25(23,24)21-18-13-16(14-20)7-10-19(18)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyBRDHUKWZDAPCNA-UHFFFAOYSA-N
XLogP3.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
3-methyl-4-piperidin-1-ylbenzonitrile
CID 60929306
N-(2,4-dinitro-5-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372915
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
3-[(4-methylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50767022
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrobenzonitrile
CID 16797153
N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 4101718
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide (CID 169372874) is N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is BRDHUKWZDAPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-15-5-8-17(9-6-15)25(23,24)21-18-13-16(14-20)7-10-19(18)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3.
What are the key properties of N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide?
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).