4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide

C16H25N3O2S — CID 8000367

IUPAC4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/t14-/m1/s1
InChIKeyKYVFHJDRNVCFSM-CQSZACIVSA-N
MW323.46 g/mol
LogP2.35
Rot. Bonds9

About 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide

4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide (PubChem CID 8000367) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
PubChem CID8000367
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/t14-/m1/s1
InChIKeyKYVFHJDRNVCFSM-CQSZACIVSA-N
XLogP2.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239018
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide (CID 8000367) is 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide is CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The InChIKey is KYVFHJDRNVCFSM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).