N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide

C26H28N2O2S — CID 19888458

IUPACN-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCC1CC(c2ccccc2)=CCN1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-31(30,26-16-8-3-9-17-26)28(25-14-6-2-7-15-25)20-10-13-24-21-23(18-19-27-24)22-11-4-1-5-12-22/h1-9,11-12,14-18,24,27H,10,13,19-21H2
InChIKeyNWXKAYAVXOBKJP-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.11
Rot. Bonds8

About N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide

N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide (PubChem CID 19888458) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide
PubChem CID19888458
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCC1CC(c2ccccc2)=CCN1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-31(30,26-16-8-3-9-17-26)28(25-14-6-2-7-15-25)20-10-13-24-21-23(18-19-27-24)22-11-4-1-5-12-22/h1-9,11-12,14-18,24,27H,10,13,19-21H2
InChIKeyNWXKAYAVXOBKJP-UHFFFAOYSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
4-[N-(benzenesulfonyl)-4-iodoanilino]butanoic acid
CID 50891009
4-[N-(benzenesulfonyl)-4-ethylanilino]butanoic acid
CID 50892758
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112803154
7-chloro-3-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-2-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
CID 57308721
4-(N-(3-nitrophenyl)sulfonylanilino)butanoic acid
CID 50889630
4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50889582
N-[4-(2-adamantyl)-4-oxobutyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 161310373
5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid;hydrochloride
CID 67883034
N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 110753053

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide?
The IUPAC name of N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide (CID 19888458) is N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCC1CC(c2ccccc2)=CCN1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide?
The InChIKey is NWXKAYAVXOBKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-31(30,26-16-8-3-9-17-26)28(25-14-6-2-7-15-25)20-10-13-24-21-23(18-19-27-24)22-11-4-1-5-12-22/h1-9,11-12,14-18,24,27H,10,13,19-21H2.
What are the key properties of N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide?
N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 19888458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).