4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide

C22H27N3O2S — CID 162411724

IUPAC4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC(Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2S/c23-18-20-9-11-22(12-10-20)28(26,27)24-14-13-21(25-15-5-2-6-16-25)17-19-7-3-1-4-8-19/h1,3-4,7-12,21,24H,2,5-6,13-17H2
InChIKeyHJQQZPHRVRIDLW-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.32
Rot. Bonds8

About 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide

4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 162411724) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID162411724
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC(Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2S/c23-18-20-9-11-22(12-10-20)28(26,27)24-14-13-21(25-15-5-2-6-16-25)17-19-7-3-1-4-8-19/h1,3-4,7-12,21,24H,2,5-6,13-17H2
InChIKeyHJQQZPHRVRIDLW-UHFFFAOYSA-N
XLogP3.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
CID 56746179
4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
CID 138596213
N-(2-morpholin-4-yl-3-phenylpropyl)benzenesulfonamide
CID 110403847
3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47006104
4-cyano-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169277
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide
CID 34115245
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
N-(ethylsulfamoyl)-3-phenyl-2-pyrrolidin-1-ylpropan-1-amine
CID 110611088
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide (CID 162411724) is 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCC(Cc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is HJQQZPHRVRIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c23-18-20-9-11-22(12-10-20)28(26,27)24-14-13-21(25-15-5-2-6-16-25)17-19-7-3-1-4-8-19/h1,3-4,7-12,21,24H,2,5-6,13-17H2.
What are the key properties of 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide?
4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 162411724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).