4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide

C17H25N3O2S — CID 56746179

IUPAC4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
SMILESCC(C)N1CCCC(CCNS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C17H25N3O2S/c1-14(2)20-11-3-4-16(13-20)9-10-19-23(21,22)17-7-5-15(12-18)6-8-17/h5-8,14,16,19H,3-4,9-11,13H2,1-2H3
InChIKeyAEGJMERTCQUJLZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.35
Rot. Bonds6

About 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide

4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide (PubChem CID 56746179) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
PubChem CID56746179
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
SMILESCC(C)N1CCCC(CCNS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C17H25N3O2S/c1-14(2)20-11-3-4-16(13-20)9-10-19-23(21,22)17-7-5-15(12-18)6-8-17/h5-8,14,16,19H,3-4,9-11,13H2,1-2H3
InChIKeyAEGJMERTCQUJLZ-UHFFFAOYSA-N
XLogP2.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
CID 95190119
2-(4-cyanophenyl)-2-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]acetamide
CID 86959111
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide
CID 34115245
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide
CID 162411724
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 142630155
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide (CID 56746179) is 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide is CC(C)N1CCCC(CCNS(=O)(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is AEGJMERTCQUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-14(2)20-11-3-4-16(13-20)9-10-19-23(21,22)17-7-5-15(12-18)6-8-17/h5-8,14,16,19H,3-4,9-11,13H2,1-2H3.
What are the key properties of 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide?
4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56746179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).