N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide

C25H30N6O2S — CID 10552663

IUPACN-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N6O2S/c1-29(34(32,33)23-7-3-2-4-8-23)21-11-14-30(15-12-21)13-5-6-20-17-26-25-10-9-22(16-24(20)25)31-18-27-28-19-31/h2-4,7-10,16-19,21,26H,5-6,11-15H2,1H3
InChIKeyIFTFRKXQTPMNTF-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.47
Rot. Bonds8

About N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide

N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 10552663) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide
PubChem CID10552663
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide
SMILESCN(C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N6O2S/c1-29(34(32,33)23-7-3-2-4-8-23)21-11-14-30(15-12-21)13-5-6-20-17-26-25-10-9-22(16-24(20)25)31-18-27-28-19-31/h2-4,7-10,16-19,21,26H,5-6,11-15H2,1H3
InChIKeyIFTFRKXQTPMNTF-UHFFFAOYSA-N
XLogP3.47
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide (CID 10552663) is N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide is CN(C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is IFTFRKXQTPMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-29(34(32,33)23-7-3-2-4-8-23)21-11-14-30(15-12-21)13-5-6-20-17-26-25-10-9-22(16-24(20)25)31-18-27-28-19-31/h2-4,7-10,16-19,21,26H,5-6,11-15H2,1H3.
What are the key properties of N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide?
N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 478.62 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 10552663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).