N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide

C27H30N4O2S — CID 42431865

IUPACN-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N4O2S/c32-34(33,25-6-2-1-3-7-25)30-23-10-12-24(13-11-23)31-18-15-22(16-19-31)28-17-14-21-20-29-27-9-5-4-8-26(21)27/h1-13,20,22,28-30H,14-19H2
InChIKeyFQDNBWYXHPPGCG-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.77
Rot. Bonds8

About N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide

N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide (PubChem CID 42431865) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
PubChem CID42431865
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC NameN-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N4O2S/c32-34(33,25-6-2-1-3-7-25)30-23-10-12-24(13-11-23)31-18-15-22(16-19-31)28-17-14-21-20-29-27-9-5-4-8-26(21)27/h1-13,20,22,28-30H,14-19H2
InChIKeyFQDNBWYXHPPGCG-UHFFFAOYSA-N
XLogP4.77
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]benzenesulfonamide;hydrochloride
CID 19691093
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 72916795
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
CID 97235647
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
3-N-[2-(1H-indol-3-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112955901
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide (CID 42431865) is N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The InChIKey is FQDNBWYXHPPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c32-34(33,25-6-2-1-3-7-25)30-23-10-12-24(13-11-23)31-18-15-22(16-19-31)28-17-14-21-20-29-27-9-5-4-8-26(21)27/h1-13,20,22,28-30H,14-19H2.
What are the key properties of N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide has a molecular weight of 474.63 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 42431865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).