N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide

C24H28N6O2S — CID 162435486

IUPACN-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCC(Cn2cc(-c3c[nH]c4ccccc34)nn2)CC1)c1ccccc1
InChIInChI=1S/C24H28N6O2S/c31-33(32,20-6-2-1-3-7-20)26-12-15-29-13-10-19(11-14-29)17-30-18-24(27-28-30)22-16-25-23-9-5-4-8-21(22)23/h1-9,16,18-19,25-26H,10-15,17H2
InChIKeyZAYFCYHFAZANNX-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide

N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 162435486) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID162435486
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCC(Cn2cc(-c3c[nH]c4ccccc34)nn2)CC1)c1ccccc1
InChIInChI=1S/C24H28N6O2S/c31-33(32,20-6-2-1-3-7-20)26-12-15-29-13-10-19(11-14-29)17-30-18-24(27-28-30)22-16-25-23-9-5-4-8-21(22)23/h1-9,16,18-19,25-26H,10-15,17H2
InChIKeyZAYFCYHFAZANNX-UHFFFAOYSA-N
XLogP3.12
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
CID 138403145
ethyl 6-chloro-3-[1-[[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxylate
CID 162435280
tert-butyl 3-[1-[[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-5-fluoroindole-1-carboxylate
CID 162435338
2-methylpropyl 5-chloro-3-[1-[[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxylate
CID 162435386
ethyl 5-fluoro-3-[1-[[1-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxylate
CID 162435124
N-[2-[4-[[4-(2-acetyl-5-fluoro-1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]-3-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzenesulfonamide
CID 162435508
N-[2-[4-[[4-(2-acetyl-5-fluoro-1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-[2-(hydroxymethyl)-6-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169040954
5-fluoro-N-(3-methylbutyl)-3-[1-[[1-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxamide
CID 162435354
2-methylpropyl 5-fluoro-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxylate
CID 162435646
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 166236847
(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
CID 169284619
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide (CID 162435486) is N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCC(Cn2cc(-c3c[nH]c4ccccc34)nn2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is ZAYFCYHFAZANNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c31-33(32,20-6-2-1-3-7-20)26-12-15-29-13-10-19(11-14-29)17-30-18-24(27-28-30)22-16-25-23-9-5-4-8-21(22)23/h1-9,16,18-19,25-26H,10-15,17H2.
What are the key properties of N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 464.60 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 162435486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).