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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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).