4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide

C15H21N3O2S — CID 79702963

IUPAC4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-18(12-14-7-9-17-10-8-14)21(19,20)15-5-3-13(11-16)4-6-15/h3-6,14,17H,2,7-10,12H2,1H3
InChIKeyFTALVUYHDYPOBJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.57
Rot. Bonds5

About 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide

4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 79702963) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID79702963
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-18(12-14-7-9-17-10-8-14)21(19,20)15-5-3-13(11-16)4-6-15/h3-6,14,17H,2,7-10,12H2,1H3
InChIKeyFTALVUYHDYPOBJ-UHFFFAOYSA-N
XLogP1.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide
CID 129479094
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide (CID 79702963) is 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide is CCN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is FTALVUYHDYPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-18(12-14-7-9-17-10-8-14)21(19,20)15-5-3-13(11-16)4-6-15/h3-6,14,17H,2,7-10,12H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide?
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79702963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).