2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide

C20H23N3O2S — CID 110357461

IUPAC2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H23N3O2S/c21-15-18-11-5-6-12-20(18)26(24,25)22-16-19(17-9-3-1-4-10-17)23-13-7-2-8-14-23/h1,3-6,9-12,19,22H,2,7-8,13-14,16H2
InChIKeyIYQKASDTAGATCG-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.06
Rot. Bonds6

About 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide

2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 110357461) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID110357461
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H23N3O2S/c21-15-18-11-5-6-12-20(18)26(24,25)22-16-19(17-9-3-1-4-10-17)23-13-7-2-8-14-23/h1,3-6,9-12,19,22H,2,7-8,13-14,16H2
InChIKeyIYQKASDTAGATCG-UHFFFAOYSA-N
XLogP3.06
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzenesulfonamide
CID 110403097
3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47006104
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499811
4-methyl-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 154745470
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55352459
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (CID 110357461) is 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is IYQKASDTAGATCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c21-15-18-11-5-6-12-20(18)26(24,25)22-16-19(17-9-3-1-4-10-17)23-13-7-2-8-14-23/h1,3-6,9-12,19,22H,2,7-8,13-14,16H2.
What are the key properties of 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110357461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).