4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C16H17N3O2S — CID 5016217

IUPAC4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-19(12-10-15-5-3-4-11-18-15)22(20,21)16-8-6-14(13-17)7-9-16/h3-9,11H,2,10,12H2,1H3
InChIKeyWQAONQMNCQXYDJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.21
Rot. Bonds6

About 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 5016217) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID5016217
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-19(12-10-15-5-3-4-11-18-15)22(20,21)16-8-6-14(13-17)7-9-16/h3-9,11H,2,10,12H2,1H3
InChIKeyWQAONQMNCQXYDJ-UHFFFAOYSA-N
XLogP2.21
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 6736317
N-ethyl-2,3,5,6-tetramethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23905703
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
4-cyano-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 46891424
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 5016217) is 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CCN(CCc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is WQAONQMNCQXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-19(12-10-15-5-3-4-11-18-15)22(20,21)16-8-6-14(13-17)7-9-16/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 5016217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).